7NJZ
X-ray crystallography study of RoAb13 which binds to PIYDIN, a part of the CCR5 N terminal domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-20 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 76.440, 76.440, 268.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.520 - 3.200 |
R-factor | 0.2703 |
Rwork | 0.269 |
R-free | 0.29220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s2s |
RMSD bond length | 0.003 |
RMSD bond angle | 0.660 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.530 | 3.500 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.080 | 0.431 |
Number of reflections | 13940 | 2703 |
<I/σ(I)> | 7.6 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | |
CC(1/2) | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.85 M Ammonium sulfate |