3KV3
Crystal structure of C151S mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH 1)from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P
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 | 2009-06-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.519, 104.490, 91.192 |
| Unit cell angles | 90.00, 108.03, 90.00 |
Refinement procedure
| Resolution | 21.350 - 2.500 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3H48 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.571 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.8L) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 86.710 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.084 | 0.344 |
| Total number of observations | 15373 | |
| Number of reflections | 41759 | |
| <I/σ(I)> | 9.7 | 3.2 |
| Completeness [%] | 98.8 | 97.7 |
| Redundancy | 3.73 | 3.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 0.1 (M) Tris-HCl, pH 8.2, 26% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
