1OTW
Crystal structure of PqqC in complex with PQQ and a putative H2O2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 73.504, 118.419, 69.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.710 - 2.300 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.24829 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1otv |
RMSD bond length | 0.017 |
RMSD bond angle | 1.649 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.700 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 26011 | |
<I/σ(I)> | 8.2 | 1.65 |
Completeness [%] | 93.5 | 89.1 |
Redundancy | 3.1 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 298 | 1.4M ammonium sulphate, cacodylate , pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 25K |