4A3Q
The 2.15 Angstrom resolution crystal structure of Staphylococcus aureus alanine racemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-18 |
| Detector | RIGAKU-MSC R-AXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.140, 113.940, 125.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.410 - 2.150 |
| R-factor | 0.19084 |
| Rwork | 0.188 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sft |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.350 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.910 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 49388 | |
| <I/σ(I)> | 15.2 | 6.3 |
| Completeness [%] | 96.1 | 91 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 100 MM SODIUM ACETATE TRIHYDRATE (PH 5.0), 1.8 M AMMONIUM SULFATE. |
