2D0P
Structure of diol dehydratase-reactivating factor in nucleotide free form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.920, 85.370, 296.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.580 - 3.000 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.079 | 0.606 |
Number of reflections | 41979 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 97.7 | 93.3 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG400, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |