3KSZ
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate-dehydrogenase 1 (GAPDH 1) from 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 | 2009-11-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.872, 93.596, 89.884 |
| Unit cell angles | 90.00, 107.61, 90.00 |
Refinement procedure
| Resolution | 33.830 - 2.600 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3H48 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.506 |
| 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] | 85.670 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.100 | 0.389 |
| Total number of observations | 9569 | |
| Number of reflections | 32754 | |
| <I/σ(I)> | 7.4 | 2.4 |
| Completeness [%] | 99.0 | 90.4 |
| Redundancy | 3.55 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 0.1M Tris-HCl pH8.2, 24% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
