1Z42
Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde
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 | 51.167, 184.681, 169.172 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.850 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 66570 | |
<I/σ(I)> | 16.6 | 4.6 |
Completeness [%] | 97.3 | 94.8 |
Redundancy | 2.71 | 2.65 |
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 |