4NWX
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus in 2-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 | 2013-11-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.639, 83.206, 89.073 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.640 - 2.010 |
R-factor | 0.17003 |
Rwork | 0.168 |
R-free | 0.21593 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4my4 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.992 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.804 | 19.633 | 2.110 |
High resolution limit [Å] | 2.010 | 6.340 | 2.010 |
Rmerge | 0.023 | 0.490 | |
Number of reflections | 37033 | ||
<I/σ(I)> | 19.7 | 29 | 1.6 |
Completeness [%] | 99.1 | 96.7 | 95.3 |
Redundancy | 7.1 | 6.8 | 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 |