5J16
Crystal structure of Inositol monophosphate bound SaIMPase-II
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 | 2012-07-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.942, 78.762, 80.052 |
| Unit cell angles | 105.46, 102.28, 109.47 |
Refinement procedure
| Resolution | 72.790 - 2.400 |
| R-factor | 0.1837 |
| Rwork | 0.181 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t0j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.703 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP (10.2.35) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.787 | 19.746 | 2.530 |
| High resolution limit [Å] | 2.399 | 7.580 | 2.400 |
| Rmerge | 0.018 | 0.383 | |
| Rmeas | 0.069 | 0.021 | 0.443 |
| Rpim | 0.035 | 0.010 | 0.222 |
| Total number of observations | 172821 | 5350 | 24284 |
| Number of reflections | 43376 | ||
| <I/σ(I)> | 18.1 | 62 | 3.4 |
| Completeness [%] | 96.3 | 94 | 93.3 |
| Redundancy | 4 | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.2M CaCl2, 0.1M Bis-Tris pH 6.0, 18-22% (W/V) PEG 3350 |
