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 |
