4QAX
Crystal structure of post-catalytic binary complex of Phosphoglycerate mutase from Staphylococcus aureus
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 | 2014-04-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.802, 80.689, 89.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.530 - 2.000 |
| R-factor | 0.1684 |
| Rwork | 0.166 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4my4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.980 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP (11.0.05) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.855 | 19.526 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.340 | 2.000 |
| Rmerge | 0.025 | 0.356 | |
| Rpim | 0.010 | 0.159 | |
| Total number of observations | 8204 | 28748 | |
| Number of reflections | 35850 | ||
| <I/σ(I)> | 22.6 | 55.3 | 5.1 |
| Completeness [%] | 99.4 | 96.7 | 96.7 |
| Redundancy | 7 | 6.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2M Sodium chloride, 0.1M Bis Tris pH 6.5, 25%(w/v)Polyethyleneglycol 3350. , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
