3LC2
Crystal Structure of Thioacyl-Glyceraldehyde-3-phosphate dehydrogenase 1(GAPDH 1) from methicillin resistant Staphylococcus aureus MRSA252
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 | 2009-12-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.057, 103.025, 90.303 |
Unit cell angles | 90.00, 109.40, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.184 |
Rwork | 0.181 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3H48 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.432 |
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] | 85.178 | 2.940 |
High resolution limit [Å] | 2.793 | 2.790 |
Rmerge | 0.497 | |
Number of reflections | 29489 | |
<I/σ(I)> | 2.7 | |
Completeness [%] | 99.2 | 96.9 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris-HCl pH 8.5, 32% (w/v) PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K |