2GMU
Crystal structure of E coli GDP-4-keto-6-deoxy-D-mannose-3-dehydratase complexed with PLP-glutamate ketimine intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 2005-10-30 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.900, 88.000, 126.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.23100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2gms |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.600 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 72854 | |
| <I/σ(I)> | 11.3 | 1.3 |
| Completeness [%] | 88.0 | 79 |
| Redundancy | 3.1 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 6 | 298 | 14% PEG 3400, 0.05 M MES, 0.2 M MgCl2, 0.1 M NaCl, 1 mM pyridoxal-5-phosphate, 2 mM glutamate, 2 mM GDP, pH 6.0, batch, temperature 298K |
