CROSSLINKED, DEOXY HUMAN HEMOGLOBIN A

entry_id	1bij
deposition_date	1998-06-18
title	CROSSLINKED, DEOXY HUMAN HEMOGLOBIN A
keywords	HEME, ALLOSTERIC INTERMEDIATE, OXYGEN TRANSPORT, CROSSLINKED; OXYGEN TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	24.82 Å
rg_electron	23.52 Å
i0	63622900.00
molecular_weight	64539.0 kDa
excluded_volume	81663 ų
envelope_volume	97541 ų
shell_volume	33224 ų
envelope_diameter	73.0 Å
shell_rg	31.54 Å
envelope_rg	23.23 Å
shape_rg	23.51 Å
total_rg	24.46 Å
total_atoms	4562
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	70.8 Å
rg_real	24.56 Å
rg_real_error	0.21 Å
i0_real	6.3620e+07
i0_real_error	7.0970e+05
rg_reciprocal	24.62 Å
i0_reciprocal	63630000.0000
total_estimate	0.9128
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	33.7 Å
skewness	0.007
kurtosis	-0.569
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	17380000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.967; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.994

Unit Cell

length_a	65.300 Å
length_b	96.000 Å
length_c	101.500 Å
angle_alpha	90.00 °
angle_beta	101.50 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	2.300 Å
resolution_low	5.000 Å
r_factor	0.1900
r_work	0.1900
r_free	0.2630

Diffraction

temperature

300.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bi/1bij/pr_distribution.json
• pr_output /app/data/pr_computation/bi/1bij/1bij.pr.out
• pr_plot /app/data/visualization/pr_computation/bi/1bij/1bij_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bi/1bij/1bij.dat
• saxs_fit /app/data/saxs_computation/bi/1bij/1bij.fit
• saxs_log /app/data/saxs_computation/bi/1bij/1bij.log
• saxs_plot /app/data/visualization/saxs_computation/bi/1bij/1bij_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bi/1bij/1bij.fit
pddf	/app/data/pr_computation/bi/1bij/1bij.pr.out
profile	/app/data/saxs_computation/bi/1bij/1bij.dat