3T0J
Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 98 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.137, 55.209, 149.470 |
| Unit cell angles | 90.00, 124.33, 90.00 |
Refinement procedure
| Resolution | 19.740 - 2.590 |
| R-factor | 0.1874 |
| Rwork | 0.183 |
| R-free | 0.26760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.666 |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 123.436 | 19.737 | 2.730 |
| High resolution limit [Å] | 2.586 | 8.180 | 2.590 |
| Rmerge | 0.048 | 0.627 | |
| Rmeas | 0.053 | 0.687 | |
| Rpim | 0.022 | 0.276 | |
| Total number of observations | 7200 | 31502 | |
| Number of reflections | 37905 | ||
| <I/σ(I)> | 9.4 | 25.1 | 3 |
| Completeness [%] | 99.0 | 92.7 | 95.1 |
| Redundancy | 6.3 | 6.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.3M Ammonium dihydrogen phosphate, 25% (w/v) PEG 3350, vapor diffusion, hanging drop, temperature 298K |
