4NWJ
Crystal structure of phosphopglycerate mutase from Staphylococcus aureus in 3-phosphoglyceric acid bound form.
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 | 2013-11-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.637, 82.841, 89.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.630 - 2.010 |
R-factor | 0.16682 |
Rwork | 0.164 |
R-free | 0.21667 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4my4 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.963 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.684 | 19.626 | 2.120 |
High resolution limit [Å] | 2.010 | 6.350 | 2.010 |
Rmerge | 0.024 | 0.446 | |
Number of reflections | 35948 | ||
<I/σ(I)> | 20.2 | 28.2 | 1.7 |
Completeness [%] | 96.9 | 96.7 | 87.6 |
Redundancy | 7.2 | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 0.2M NaCl, Bis-Tris, 25%(w/v) PEG3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |