4DG5
Crystal structure of staphylococcal Phosphoglycerate kinase
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 | 2010-12-08 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.137, 74.748, 58.665 |
| Unit cell angles | 90.00, 95.72, 90.00 |
Refinement procedure
| Resolution | 58.370 - 2.300 |
| R-factor | 0.1769 |
| Rwork | 0.172 |
| R-free | 0.26360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1php |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.667 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.373 | 19.458 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.046 | 0.235 | |
| Rmeas | 0.054 | 0.275 | |
| Rpim | 0.028 | 0.143 | |
| Total number of observations | 1976 | 8555 | |
| Number of reflections | 16871 | ||
| <I/σ(I)> | 12 | 24.9 | 5.2 |
| Completeness [%] | 97.6 | 94.3 | 95.9 |
| Redundancy | 3.7 | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 0.15M Calcium chloride dihydrate, 0.1M HEPES-Na, 20% (w/v)Polyethylene glycol 2000, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
