4LUS
alanine racemase [Clostridium difficile 630]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-09-25 |
| Detector | RIGAKU RAXIS HTC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.150, 93.300, 107.090 |
| Unit cell angles | 90.00, 91.00, 90.00 |
Refinement procedure
| Resolution | 54.540 - 2.100 |
| R-factor | 0.20478 |
| Rwork | 0.202 |
| R-free | 0.26571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a3q |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.014 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.540 | 2.200 |
| High resolution limit [Å] | 2.076 | 2.076 |
| Rmerge | 0.060 | 0.374 |
| Number of reflections | 93251 | |
| <I/σ(I)> | 19.5 | 4.9 |
| Completeness [%] | 88.4 | 52.9 |
| Redundancy | 7.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 20 mg/ml protein in 50mM Tris pH 8.0, 0.02% v/v BME, 10 micromolar pyridoxal-L-phosphate, crystallization buffer 1mM TCEP, 0.2M sodium formate, 20% w/V PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
