3NZG
Crystal structure of a putative racemase with Mg ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-15 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 132.144, 165.408, 165.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.221 |
| Rwork | 0.221 |
| R-free | 0.24400 |
| Structure solution method | MIR |
| Starting model (for MR) | 3mkc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 | 0.435 |
| Number of reflections | 122663 | |
| <I/σ(I)> | 10.4 | 7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.8 | 14.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 290 | 0.15M DL-Malic acid, 20% PEG 3350, 20mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
