2Z1M
Crystal Structure of GDP-D-Mannose Dehydratase 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 | 2006-10-14 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.799, 151.164, 85.934 |
Unit cell angles | 90.00, 108.60, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.187 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.209 |
Number of reflections | 94553 | |
<I/σ(I)> | 19.6 | 5.4 |
Completeness [%] | 99.0 | 93 |
Redundancy | 4.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 0.2M Sodium chloride , 0.1M NA/K PHOSPHATE, 40% PEG 400, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |