3B8X
Crystal structure of GDP-4-keto-6-deoxymannose-3-dehydratase (ColD) H188N mutant with bound GDP-perosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-08 |
Detector | BRUKER |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.411, 98.123, 119.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.700 |
R-factor | 0.177 |
Rwork | 0.173 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gmu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.900 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | EPMR |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.408 | |
Number of reflections | 75510 | |
<I/σ(I)> | 16.24 | 3.16 |
Completeness [%] | 92.4 | 86 |
Redundancy | 5.78 | 2.54 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 6 | 298 | 28% PEG 3400, 400 mM MgCl2, 100 mM MES, 2 mM 2-oxoglutarate, 10 mM GDP-perosamine, pH 6.0, batch, temperature 298K |