5FJU
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: Q26A M50I G291D F323Y mutant in complex with N-acetyl phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2014-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 216.900, 216.900, 261.630 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 107.350 - 2.520 |
| R-factor | 0.158 |
| Rwork | 0.156 |
| R-free | 0.19020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6g |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.809 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 107.350 | 2.590 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.100 | 0.830 |
| Number of reflections | 79550 | |
| <I/σ(I)> | 17 | 2.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS HCL PH 8.0; 15% (W/V) PEG 4K; 800 MM SODIUM FORMATE; PROTEIN AT 8 MG PER ML |
