1XTO
Crystal Structure of the Coenzyme PQQ Synthesis Protein (PqqB) from Pseudomonas putida, Northeast Structural Genomics Target PpR6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97897 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 86.051, 86.051, 110.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.340 - 2.800 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.28200 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.340 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.071 | 0.431 |
| Number of reflections | 19503 | |
| <I/σ(I)> | 35.2 | 6.6 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 9.94 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tri-HCl (pH 8.5), 8% PEG 8k, and 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
