8HM4
Crystal structure of PPIase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.425, 126.087, 130.715 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.440 - 3.790 |
R-factor | 0.2861 |
Rwork | 0.284 |
R-free | 0.30160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.337 |
Data reduction software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.440 | 3.930 |
High resolution limit [Å] | 3.790 | 3.790 |
Rpim | 0.038 | 0.397 |
Number of reflections | 13967 | 1342 |
<I/σ(I)> | 15.6 | |
Completeness [%] | 99.3 | |
Redundancy | 6.6 | |
CC(1/2) | 0.980 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M sodium citrate, 0.1M sodium chloride, 0.2M ammonium sulfate, 20% PEG2000 |