3VM6
Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-01-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 146.537, 146.537, 99.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.970 - 2.850 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a11 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 26012 | |
<I/σ(I)> | 20.1 | 5.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.5 | 14.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 19% PEG 1000, 0.2M Magnesium Chloride, 0.1M MES-NaOH pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |