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 |