9VYC
The crystal structure of PaiB from Bacillus stearothermophilus bound to HEM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CAMD BEAMLINE GCPCC |
| Synchrotron site | CAMD |
| Beamline | GCPCC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-10 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.442, 89.906, 62.586 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.953 - 2.421 |
| R-factor | 0.214702397439 |
| Rwork | 0.211 |
| R-free | 0.25169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.954 | 2.510 |
| High resolution limit [Å] | 2.410 | 2.420 |
| Number of reflections | 16974 | 16974 |
| <I/σ(I)> | 2.4 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.1 | |
| CC(1/2) | 0.877 | 0.877 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M sodium fluoride,20% peg 3350 |
