MODULATING THE MIDPOINT POTENTIAL OF THE [4FE-4S] CLUSTER OF THE NITROGENASE FE PROTEIN

Method: X-RAY DIFFRACTION D_max: 76.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1de0
deposition_date	1999-11-12
title	MODULATING THE MIDPOINT POTENTIAL OF THE [4FE-4S] CLUSTER OF THE NITROGENASE FE PROTEIN
keywords	REDOX PROTEINS, [FES] CLUSTERS, FE PROTEIN, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	25.09 Å
rg_electron	24.01 Å
i0	68852900.00
molecular_weight	63168.0 kDa
excluded_volume	78437 Å³
envelope_volume	93721 Å³
shell_volume	31644 Å³
envelope_diameter	77.9 Å
shell_rg	32.08 Å
envelope_rg	23.92 Å
shape_rg	24.06 Å
total_rg	24.69 Å
total_atoms	4388
n_residues	578
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	76.8 Å
rg_real	24.97 Å
rg_real_error	0.36 Å
i0_real	6.8850e+07
i0_real_error	9.0390e+05
rg_reciprocal	25.01 Å
i0_reciprocal	68850000.0000
total_estimate	0.9055
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	31.7 Å
skewness	0.181
kurtosis	-0.423
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	11790000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (4)

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length_a	56.540 Å
length_b	91.050 Å
length_c	63.350 Å
angle_alpha	90.00 °
angle_beta	99.76 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	0.2210
r_work	0.2210
r_free	0.2810

description	NITROGENASE IRON PROTEIN
formula_weight	31456.1 kDa
ec_number	1.18.6.1
mutation	F135W
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4612

MODULATING THE MIDPOINT POTENTIAL OF THE [4FE-4S] CLUSTER OF THE NITROGENASE FE PROTEIN

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)

description	IRON/SULFUR CLUSTER
formula_weight	351.6 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	224

fit	/app/data/saxs_computation/de/1de0/1de0.fit
pddf	/app/data/pr_computation/de/1de0/1de0.pr.out
profile	/app/data/saxs_computation/de/1de0/1de0.dat