3UWU
Crystal structure of Staphylococcus Aureus triosephosphate isomerase complexed with glycerol-3-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.100, 81.100, 174.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m9y |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.089 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0095) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.553 | 2.260 |
| High resolution limit [Å] | 2.149 | 2.150 |
| Rmerge | 0.439 | |
| Number of reflections | 32236 | |
| <I/σ(I)> | 19.5 | 1.8 |
| Completeness [%] | 98.7 | 91.7 |
| Redundancy | 13 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.6M TRI-SODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
