4HZK
Crystal structure of free CRM1 (crystal form 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.2395 |
Spacegroup name | P 31 |
Unit cell lengths | 89.820, 89.820, 316.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.070 - 3.100 |
R-factor | 0.2192 |
Rwork | 0.216 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gjx |
RMSD bond length | 0.004 |
RMSD bond angle | 0.867 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.200 |
High resolution limit [Å] | 3.100 | 17.000 | 3.100 |
Rmerge | 0.042 | 0.015 | 0.562 |
Number of reflections | 50204 | 261 | 4576 |
<I/σ(I)> | 17.23 | 73.38 | 2.18 |
Completeness [%] | 96.9 | 83.9 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 22% Polyacrylic acid 5,100, 20 mM MgCl2, 100 mM CHES 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |