5FJP
N-acyl amino acid racemase from Amycolatopsis sp Ts-1-60: G291D F323Y I293G mutant in complex with N-acetyl naphthylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2013-12-13 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 217.290, 217.290, 262.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.440 - 2.580 |
| R-factor | 0.18074 |
| Rwork | 0.179 |
| R-free | 0.20834 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6g |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.757 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.440 | 2.650 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.130 | 0.840 |
| Number of reflections | 74523 | |
| <I/σ(I)> | 14.9 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.4 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS HCL PH 8; 15% (W/V) PEG 4K; 800 MM SODIUM FORMATE; PROTEIN AT 8 MG PER ML |
