C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)

entry_id	1a1b
deposition_date	1997-12-10
title	C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
keywords	COMPLEX (TRANSFERASE-PEPTIDE), COMPLEX (TRANSFERASE-PEPTIDE) complex; COMPLEX (TRANSFERASE/PEPTIDE)
method	X-RAY DIFFRACTION

rg_guinier	19.66 Å
rg_electron	18.88 Å
i0	10838600.00
molecular_weight	24298.0 kDa
excluded_volume	30287 ų
envelope_volume	35517 ų
shell_volume	16407 ų
envelope_diameter	64.7 Å
shell_rg	24.22 Å
envelope_rg	19.05 Å
shape_rg	18.91 Å
total_rg	19.60 Å
total_atoms	2100
n_residues	210
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	69.3 Å
rg_real	19.68 Å
rg_real_error	0.59 Å
i0_real	1.0840e+07
i0_real_error	1.4720e+05
rg_reciprocal	19.67 Å
i0_reciprocal	10840000.0000
total_estimate	0.7749
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.5 Å
skewness	0.374
kurtosis	-0.360
angular_range	— – 0.4050 Å−1
current_alpha	0.0000
highest_alpha	2058000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.728; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.889; Smooth: 0.000

Unit Cell

length_a	52.500 Å
length_b	67.100 Å
length_c	74.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.200 Å
resolution_low	6.000 Å
r_factor	0.1740
r_work	0.1740
r_free	—

Diffraction

temperature

287.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a1/1a1b/pr_distribution.json
• pr_output /app/data/pr_computation/a1/1a1b/1a1b.pr.out
• pr_plot /app/data/visualization/pr_computation/a1/1a1b/1a1b_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a1/1a1b/1a1b.dat
• saxs_fit /app/data/saxs_computation/a1/1a1b/1a1b.fit
• saxs_log /app/data/saxs_computation/a1/1a1b/1a1b.log
• saxs_plot /app/data/visualization/saxs_computation/a1/1a1b/1a1b_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a1/1a1b/1a1b.fit
pddf	/app/data/pr_computation/a1/1a1b/1a1b.pr.out
profile	/app/data/saxs_computation/a1/1a1b/1a1b.dat