CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT

Method: X-RAY DIFFRACTION D_max: 59.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ajm
deposition_date	1997-05-06
title	CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
keywords	TRANSFERASE, METHYLTRANSFERASE, DUMP; METHYLTRANSFERASE
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	19.80 Å
rg_electron	18.27 Å
i0	16301700.00
molecular_weight	30486.0 kDa
excluded_volume	38086 Å³
envelope_volume	43979 Å³
shell_volume	19893 Å³
envelope_diameter	59.1 Å
shell_rg	24.78 Å
envelope_rg	18.38 Å
shape_rg	18.26 Å
total_rg	19.23 Å
total_atoms	2151
n_residues	263
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	59.9 Å
rg_real	19.63 Å
rg_real_error	0.30 Å
i0_real	1.6300e+07
i0_real_error	1.8370e+05
rg_reciprocal	19.66 Å
i0_reciprocal	16300000.0000
total_estimate	0.9057
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.055
kurtosis	-0.501
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2618000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (3)

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length_a	132.700 Å
length_b	132.700 Å
length_c	132.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 21 3
int_tables_number	199
crystal_system	—

resolution	2.400 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.1820
r_free	—

description	THYMIDYLATE SYNTHASE
formula_weight	30531.6 kDa
ec_number	2.1.1.45
mutation	R126E
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2201

CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	50

fit	/app/data/saxs_computation/aj/1ajm/1ajm.fit
pddf	/app/data/pr_computation/aj/1ajm/1ajm.pr.out
profile	/app/data/saxs_computation/aj/1ajm/1ajm.dat