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

entry_id	1a08
deposition_date	1997-12-09
title	C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
keywords	COMPLEX (TRANSFERASE-PEPTIDE), COMPLEX (TRANSFERASE-PEPTIDE) complex; COMPLEX (TRANSFERASE/PEPTIDE)
method	X-RAY DIFFRACTION

rg_guinier	19.67 Å
rg_electron	18.94 Å
i0	10938500.00
molecular_weight	24485.0 kDa
excluded_volume	30549 ų
envelope_volume	35948 ų
shell_volume	16517 ų
envelope_diameter	64.9 Å
shell_rg	24.25 Å
envelope_rg	19.14 Å
shape_rg	18.97 Å
total_rg	19.67 Å
total_atoms	2118
n_residues	211
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	65.9 Å
rg_real	19.70 Å
rg_real_error	0.52 Å
i0_real	1.0940e+07
i0_real_error	1.6330e+05
rg_reciprocal	19.69 Å
i0_reciprocal	10940000.0000
total_estimate	0.8770
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	21.4 Å
skewness	0.378
kurtosis	-0.357
angular_range	— – 0.4050 Å−1
current_alpha	0.0000
highest_alpha	1974000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.818; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.950; Smooth: 0.995

Unit Cell

length_a	51.900 Å
length_b	67.400 Å
length_c	75.200 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	0.1920
r_work	0.1920
r_free	—

Diffraction

temperature

277.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a0/1a08/pr_distribution.json
• pr_output /app/data/pr_computation/a0/1a08/1a08.pr.out
• pr_plot /app/data/visualization/pr_computation/a0/1a08/1a08_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a0/1a08/1a08.dat
• saxs_fit /app/data/saxs_computation/a0/1a08/1a08.fit
• saxs_log /app/data/saxs_computation/a0/1a08/1a08.log
• saxs_plot /app/data/visualization/saxs_computation/a0/1a08/1a08_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a0/1a08/1a08.fit
pddf	/app/data/pr_computation/a0/1a08/1a08.pr.out
profile	/app/data/saxs_computation/a0/1a08/1a08.dat