3M9Y
Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution
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 | 2009-10-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.478, 79.478, 175.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2btm |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.842 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.365 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.058 | 0.433 |
| Number of reflections | 44961 | |
| <I/σ(I)> | 29.5 | 5.5 |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 13.5 | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.6M TRISODIUM CITRATE DIHYDRATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
