5G3P
Bacillus cereus formamidase (BceAmiF) acetylated at the active site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.764, 150.208, 98.257 |
| Unit cell angles | 90.00, 98.68, 90.00 |
Refinement procedure
| Resolution | 103.230 - 1.780 |
| R-factor | 0.16447 |
| Rwork | 0.164 |
| R-free | 0.18108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dyu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.620 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.380 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 182788 | |
| <I/σ(I)> | 12.26 | 1.73 |
| Completeness [%] | 93.0 | 63 |
| Redundancy | 3.1 | 1.8 |
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 |
