3MCJ
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form 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 | CCD |
Collection date | 2006-12-19 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 40.015, 64.074, 102.342 |
Unit cell angles | 95.11, 98.05, 106.89 |
Refinement procedure
Resolution | 41.590 - 1.900 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mci |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.044 | 0.219 |
Number of reflections | 71606 | |
Completeness [%] | 96.4 | 95.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2M AMMONIUM ACETATE, 0.1M BIS-TRIS, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |