7LMX
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.072120 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.690, 64.100, 80.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.180 - 1.800 |
R-factor | 0.23 |
Rwork | 0.228 |
R-free | 0.26180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Design Model |
RMSD bond length | 0.004 |
RMSD bond angle | 0.606 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18rc2_3793) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.690 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.087 | |
Number of reflections | 20120 | 20060 |
<I/σ(I)> | 13.5 | 2.5 |
Completeness [%] | 98.9 | |
Redundancy | 6 | |
CC(1/2) | 0.995 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.2 M tripotassium citrate, 20% PEG3350 |