3HQ4
Crystal Structure of C151S mutant of Glyceraldehyde-3-phosphate dehydrogenase 1 (GAPDH1) complexed with NAD from Staphylococcus aureus MRSA252 at 2.2 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 | 2009-04-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.671, 105.920, 91.374 |
| Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 2.200 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3H48 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.857 |
| 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] | 29.870 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.050 | 0.224 |
| Total number of observations | 19042 | |
| Number of reflections | 60629 | |
| <I/σ(I)> | 14 | 4.4 |
| Completeness [%] | 96.1 | 91.7 |
| Redundancy | 3.53 | 3.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 28% PEG 4000, 0.1M Tris, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
