5I3S
Crystal structure of Staphylococcal IMPase-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 | 2013-08-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.004, 131.391, 80.901 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 78.350 - 2.200 |
| R-factor | 0.2313 |
| Rwork | 0.229 |
| R-free | 0.28260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qfl |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.787 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP (11.0.05) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.349 | 19.587 | 2.320 |
| High resolution limit [Å] | 2.202 | 6.960 | 2.200 |
| Rmerge | 0.026 | 0.558 | |
| Rmeas | 0.127 | 0.028 | 0.598 |
| Rpim | 0.046 | 0.011 | 0.216 |
| Total number of observations | 426223 | 12620 | 60936 |
| Number of reflections | 56328 | ||
| <I/σ(I)> | 16.7 | 54.9 | 3.4 |
| Completeness [%] | 98.4 | 95.7 | 96.5 |
| Redundancy | 7.6 | 7.1 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.3M Ammonium dihydrogen phosphate, 0.1M Bis-Tris pH 6.0, 25% (w/v) PEG 3350 |
