5G3O
Bacillus cereus formamidase (BceAmiF) inhibited with urea.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-19 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.689, 149.754, 97.220 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 47.058 - 2.150 |
| R-factor | 0.1793 |
| Rwork | 0.179 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g3p |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.625 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.480 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.040 | 0.470 |
| Number of reflections | 108536 | |
| <I/σ(I)> | 18.3 | 2.55 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 4 | CAPILLARY COUNTER DIFFUSION: 20% PEG 400, 15% PEG 4K, 10% PEG 8K, NAAC 0.1M PH 4.0 SOAKED WITH 250 MM UREA |
