1XPY
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 | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-11-30 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 4 |
| Unit cell lengths | 116.159, 116.159, 120.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.17399 |
| Rwork | 0.171 |
| R-free | 0.22742 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r0m |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| 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 | 66037 | |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 98.3 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | lithium sulfate, PEG 4000, pH 8.0, VAPOR DIFFUSION, temperature 298K |
