3JXP
Crystal Structure of the Coenzyme PQQ Synthesis Protein (PqqB) from Pseudomonas putida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-18 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.91841 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.209, 86.209, 109.406 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.700 - 2.200 |
R-factor | 0.19988 |
Rwork | 0.198 |
R-free | 0.24348 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xto |
RMSD bond length | 0.017 |
RMSD bond angle | 1.522 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.700 | 2.257 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.569 | |
Number of reflections | 21411 | |
Completeness [%] | 98.2 | 99.62 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS hydrochloride pH 8.5, 0.2 M Magnesium chloride hexahydrate, 15% w/v PEG 4,000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |