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 |
