7PVQ
Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 27.313, 43.465, 94.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 1.550 |
R-factor | 0.2334 |
Rwork | 0.231 |
R-free | 0.27370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eg3 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.760 | 19.760 | 1.580 |
High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
Rmerge | 0.073 | 0.057 | 0.240 |
Rmeas | 0.087 | 0.067 | 0.311 |
Rpim | 0.047 | 0.035 | 0.196 |
Total number of observations | 41512 | 353 | 1278 |
Number of reflections | 15097 | 99 | 703 |
<I/σ(I)> | 13.3 | 20.7 | 3.9 |
Completeness [%] | 90.1 | 80.6 | 89.2 |
Redundancy | 2.7 | 3.6 | 1.8 |
CC(1/2) | 0.992 | 0.995 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.8M ammonium sulfate, 0.1M MES |