2PBQ
Crystal structure of molybdenum cofactor biosynthesis (aq_061) From aquifex aeolicus VF5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-18 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.409, 113.159, 55.980 |
Unit cell angles | 90.00, 93.39, 90.00 |
Refinement procedure
Resolution | 39.760 - 1.700 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2FUW |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.050 | 0.230 |
Number of reflections | 53022 | |
Completeness [%] | 99.6 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 40% PEG 600, 100mM CES, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |