3P7X
Crystal structure of an atypical two-cysteine peroxiredoxin (SAOUHSC_01822) from Staphylococcus aureus NCTC8325
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 | 2009-07-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.500, 149.356, 73.736 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 19.850 - 1.960 |
| R-factor | 0.1702 |
| Rwork | 0.168 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psq |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.932 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.678 | 19.845 | 2.060 |
| High resolution limit [Å] | 1.956 | 6.180 | 1.960 |
| Rmerge | 0.016 | 0.341 | |
| Rmeas | 0.023 | 0.465 | |
| Rpim | 0.012 | 0.273 | |
| Total number of observations | 7701 | 16955 | |
| Number of reflections | 60849 | ||
| <I/σ(I)> | 14.7 | 41.9 | 2.2 |
| Completeness [%] | 92.9 | 96.9 | 71.5 |
| Redundancy | 3.3 | 3.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.0M AMMONIUM SULPHATE, 0.1M NA-HEPES PH 7, 2% (V/V) PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
