7E5V
Crystal structure of Phm7 in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-31 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.000000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.052, 149.881, 99.270 |
Unit cell angles | 90.00, 97.12, 90.00 |
Refinement procedure
Resolution | 45.216 - 1.610 |
Rwork | 0.183 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Phm7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.775 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MLPHARE (2.7.17) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.216 | 1.668 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 169791 | 16956 |
<I/σ(I)> | 12.59 | |
Completeness [%] | 99.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.996 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.54-1.62M Ammonium sulfate, 0.1M Tris HCl, 14-19% (v/v) Glycerol |