5X1Q
PpkA-294 with ATP and MnCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2015-11-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.898, 78.315, 59.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.916 - 1.602 |
R-factor | 0.1809 |
Rwork | 0.179 |
R-free | 0.21230 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2247: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | 0.333 |
Rpim | 0.014 | 0.098 |
Number of reflections | 40597 | 5502 |
<I/σ(I)> | 29.5 | |
Completeness [%] | 99.0 | 93.5 |
Redundancy | 13 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 295 | PEG 400, Ammonium Sulfate |