3UWW
Crystal structure of Staphylococcus Aureus triosephosphate isomerase complexed with 3-phosphoglyceric acid
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 | 2010-12-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 80.583, 80.583, 174.042 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.560 - 2.250 |
| R-factor | 0.209 |
| Rwork | 0.206 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m9y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.056 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.125 | 2.370 |
| High resolution limit [Å] | 2.247 | 2.250 |
| Rmerge | 0.466 | |
| Number of reflections | 28110 | |
| <I/σ(I)> | 15.1 | 1.6 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 5.8 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.6M TRISODIUM CITRATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
