7ON9
Crystal structure of para-hydroxybenzoate-3-hydroxylase PraI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 153.110, 101.508, 106.849 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 106.850 - 1.630 |
| R-factor | 0.2044 |
| Rwork | 0.203 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pbe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.849 | 1.731 |
| High resolution limit [Å] | 1.628 | 1.628 |
| Rmerge | 0.138 | 1.853 |
| Rpim | 0.039 | 0.525 |
| Number of reflections | 166829 | 8343 |
| <I/σ(I)> | 12.5 | 1.6 |
| Completeness [%] | 95.2 | 62.4 |
| Redundancy | 13.6 | 13.3 |
| CC(1/2) | 0.998 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG3350 0.2 M ammonium citrate dibasic |
