1XS2
Structural Basis for Catalytic Racemization and Substrate Specificity of an N-Acylamino Acid Racemase Homologue from Deinococcus radiodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-08-28 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 |
| Unit cell lengths | 116.669, 116.669, 120.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.17605 |
| Rwork | 0.173 |
| R-free | 0.23835 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r0m |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.328 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.096 | |
| Number of reflections | 71855 | |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 98.8 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 298 | lithium sulfate, PEG 4000, pH 8.5, VAPOR DIFFUSION, temperature 298K |
