P56LCK SH2 DOMAIN INHIBITOR COMPLEX

entry_id	1bhf
deposition_date	1998-06-08
title	P56LCK SH2 DOMAIN INHIBITOR COMPLEX
keywords	SH2 DOMAIN, PHOSPHORYLATION, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX; TRANSFERASE/TRANSFERASE INHIBITOR
method	X-RAY DIFFRACTION

rg_guinier	14.75 Å
rg_electron	13.29 Å
i0	3416200.00
molecular_weight	12606.0 kDa
excluded_volume	15614 ų
envelope_volume	17611 ų
shell_volume	11324 ų
envelope_diameter	50.7 Å
shell_rg	19.04 Å
envelope_rg	13.76 Å
shape_rg	13.28 Å
total_rg	14.56 Å
total_atoms	891
n_residues	108
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	50.2 Å
rg_real	14.66 Å
rg_real_error	0.27 Å
i0_real	3.4160e+06
i0_real_error	3.7310e+04
rg_reciprocal	14.67 Å
i0_reciprocal	3416000.0000
total_estimate	0.8598
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	49.6 Å
skewness	0.181
kurtosis	-0.201
angular_range	— – 0.5000 Å−1
current_alpha	0.0000
highest_alpha	620800.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.732; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.977

Unit Cell

length_a	80.700 Å
length_b	45.200 Å
length_c	26.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	1.800 Å
resolution_low	6.000 Å
r_factor	0.2260
r_work	0.2260
r_free	—

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/bh/1bhf/pr_distribution.json
• pr_output /app/data/pr_computation/bh/1bhf/1bhf.pr.out
• pr_plot /app/data/visualization/pr_computation/bh/1bhf/1bhf_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/bh/1bhf/1bhf.dat
• saxs_fit /app/data/saxs_computation/bh/1bhf/1bhf.fit
• saxs_log /app/data/saxs_computation/bh/1bhf/1bhf.log
• saxs_plot /app/data/visualization/saxs_computation/bh/1bhf/1bhf_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/bh/1bhf/1bhf.fit
pddf	/app/data/pr_computation/bh/1bhf/1bhf.pr.out
profile	/app/data/saxs_computation/bh/1bhf/1bhf.dat