7W66
Crystal structure of a PSH1 mutant in complex with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-01-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.845, 55.628, 95.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.960 |
R-factor | 0.1995 |
Rwork | 0.198 |
R-free | 0.22890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nei |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.060 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 74685 | 6004 |
<I/σ(I)> | 13 | 2.5 |
Completeness [%] | 94.4 | 99.9 |
Redundancy | 6.2 | 5.2 |
CC(1/2) | 0.998 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 21% PEG 6000, 0.1M citric acid, 35% MPD |