3B59
Crystal structure of the Mn(II)-bound glyoxalase from Novosphingobium aromaticivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 144.997, 168.348, 202.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.570 - 2.530 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.25700 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.690 | 2.670 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.137 | 0.540 |
| Number of reflections | 160103 | |
| <I/σ(I)> | 19.9 | 4.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.1 | 15.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M MgCl2, 0.1M Bis-Tris, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
