4I3Y
Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex
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 | 2012-08-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 60.136, 62.819, 141.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.590 - 2.040 |
| R-factor | 0.1873 |
| Rwork | 0.184 |
| R-free | 0.24840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qmf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.151 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.790 | 19.586 | 2.150 |
| High resolution limit [Å] | 2.040 | 6.450 | 2.040 |
| Rmerge | 0.024 | 0.583 | |
| Rmeas | 0.026 | 0.630 | |
| Rpim | 0.010 | 0.235 | |
| Total number of observations | 7940 | 35402 | |
| Number of reflections | 34974 | ||
| <I/σ(I)> | 17.5 | 58.7 | 3.5 |
| Completeness [%] | 99.9 | 96.5 | 99.9 |
| Redundancy | 7.1 | 6.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.2M MgCl2, 0.1M HEPES, 20%(w/v) PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
