7W69
Crystal structure of a PSH1 mutant in complex with EDO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.526, 55.346, 51.153 |
Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
Resolution | 23.520 - 1.560 |
R-factor | 0.1647 |
Rwork | 0.164 |
R-free | 0.18310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nei |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.620 |
High resolution limit [Å] | 1.560 | 3.360 | 1.560 |
Rmerge | 0.115 | 0.081 | 0.608 |
Rmeas | 0.121 | 0.085 | 0.657 |
Rpim | 0.038 | 0.027 | 0.243 |
Total number of observations | 397183 | ||
Number of reflections | 42273 | 4330 | 4196 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 99.9 | 99.8 | 99.1 |
Redundancy | 9.4 | 10 | 6.4 |
CC(1/2) | 0.995 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 24% PEG 4000, 0.1M Nacit, pH5.6, 9% isopropanol |