1Z44
Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-nitrophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 51.433, 184.837, 172.026 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.400 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z41 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.290 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 144550 | |
| <I/σ(I)> | 18.2 | 4.9 |
| Completeness [%] | 96.3 | 97.5 |
| Redundancy | 2.82 | 2.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292.15 | Tris/HCl, PEG 3500, lithium sulfate, strontium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292.15K |
