NI BETA HEME HUMAN HEMOGLOBIN

entry_id	1dke
deposition_date	1999-12-07
title	NI BETA HEME HUMAN HEMOGLOBIN
keywords	OXYGEN TRANSPORT, OXYGEN STORAGE-TRANSPORT COMPLEX; OXYGEN STORAGE/TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	25.01 Å
rg_electron	23.71 Å
i0	63653800.00
molecular_weight	64483.0 kDa
excluded_volume	81558 ų
envelope_volume	98077 ų
shell_volume	33184 ų
envelope_diameter	72.1 Å
shell_rg	31.91 Å
envelope_rg	23.36 Å
shape_rg	23.70 Å
total_rg	24.67 Å
total_atoms	4557
n_residues	574
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	71.3 Å
rg_real	24.81 Å
rg_real_error	0.28 Å
i0_real	6.3650e+07
i0_real_error	7.6750e+05
rg_reciprocal	24.87 Å
i0_reciprocal	63660000.0000
total_estimate	0.9129
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	-0.001
kurtosis	-0.578
angular_range	— – 0.3150 Å−1
current_alpha	0.0000
highest_alpha	14360000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.969; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.989

Unit Cell

length_a	55.720 Å
length_b	81.400 Å
length_c	63.150 Å
angle_alpha	90.00 °
angle_beta	97.81 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	2.100 Å
resolution_low	12.000 Å
r_factor	0.2000
r_work	0.2000
r_free	0.2800

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/dk/1dke/pr_distribution.json
• pr_output /app/data/pr_computation/dk/1dke/1dke.pr.out
• pr_plot /app/data/visualization/pr_computation/dk/1dke/1dke_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/dk/1dke/1dke.dat
• saxs_fit /app/data/saxs_computation/dk/1dke/1dke.fit
• saxs_log /app/data/saxs_computation/dk/1dke/1dke.log
• saxs_plot /app/data/visualization/saxs_computation/dk/1dke/1dke_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/dk/1dke/1dke.fit
pddf	/app/data/pr_computation/dk/1dke/1dke.pr.out
profile	/app/data/saxs_computation/dk/1dke/1dke.dat