3HDP
Crystal structure of the NI(II)-bound Glyoxalase-I from Clostridium acetobutylicum
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 | 2009-04-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 70.269, 70.269, 66.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.170 - 2.060 |
| R-factor | 0.256 |
| Rwork | 0.252 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qh0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.050 | 0.172 |
| Number of reflections | 9650 | |
| <I/σ(I)> | 31.6 | 10 |
| Completeness [%] | 88.3 | 99 |
| Redundancy | 25.5 | 25.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 15% PEG 3350,7.5pH Hepes buffer (0.1M)and 5% Isopropanol., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
