5FAG
Alanine Racemase from Streptomyces coelicolor A3(2) with Bound Propionate Inhibitor
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 | 2015-05-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.968622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.950, 88.580, 108.880 |
| Unit cell angles | 90.00, 102.60, 90.00 |
Refinement procedure
| Resolution | 48.060 - 1.510 |
| R-factor | 0.19998 |
| Rwork | 0.199 |
| R-free | 0.22528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fac |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.978 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.060 | 1.560 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.090 | 1.016 |
| Number of reflections | 224162 | |
| <I/σ(I)> | 5.3 | 0.8 |
| Completeness [%] | 96.8 | 90.4 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M BIS-TRIS propane pH 8.5, 0.2 M NaNO3, 20% (w/v) PEG3350 |
