5FJR
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: Q26A M50I G291D F323Y mutant in complex with N-acetyl napthylalanine
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 PIXEL |
Spacegroup name | H 3 2 |
Unit cell lengths | 217.670, 217.670, 263.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 107.890 - 2.440 |
R-factor | 0.17453 |
Rwork | 0.172 |
R-free | 0.22052 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a6g |
RMSD bond length | 0.020 |
RMSD bond angle | 2.241 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 153.250 | 2.500 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.090 | 0.710 |
Number of reflections | 88697 | |
<I/σ(I)> | 17.7 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 10.4 |
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 |