5FJO
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: G291D- F323Y 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 |
| Collection date | 2013-12-13 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 164.710, 164.710, 169.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.550 - 2.080 |
| R-factor | 0.14606 |
| Rwork | 0.145 |
| R-free | 0.17465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6g |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.992 |
| 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] | 68.550 | 2.130 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.160 | 0.740 |
| Number of reflections | 69708 | |
| <I/σ(I)> | 15.5 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 100 MM TRIS HCL PH 8.0, 15% PEG 4K, 800 MM SODIUM FORMATE, PROTEIN AT 8 MG PER ML |
