1OTV
PqqC, Pyrroloquinolinquinone Synthase C
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 74.151, 118.127, 68.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.010 - 2.100 |
| R-factor | 0.19663 |
| Rwork | 0.195 |
| R-free | 0.23014 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.588 |
| 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] | 69.000 | 2.155 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 35743 | |
| <I/σ(I)> | 10.1 | 2.3 |
| Completeness [%] | 98.1 | 96.2 |
| Redundancy | 4.4 | 3.6 |
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 |
