13LD
Deuterated alanine racemase from Geobacillus stearothermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2026-04-01 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.444, 109.925, 90.183 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 27.810 - 1.900 |
| R-factor | 0.1665 |
| Rwork | 0.164 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.228 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.810 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.092 | 0.483 |
| Rpim | 0.067 | 0.357 |
| Number of reflections | 138839 | 4085 |
| <I/σ(I)> | 10.2 | 1.5 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 2.7 | 2.7 |
| CC(1/2) | 0.984 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 293 | 16 mg/mL protein, 12.5% PEG 4000, 100 mM sodium acetate, 100 mM tris pH 8.5 |
