4I3E
Crystal structure of Staphylococcal IMPase - I complexed with products.
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 | 2012-10-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 60.327, 62.510, 140.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.710 - 2.600 |
| R-factor | 0.1851 |
| Rwork | 0.181 |
| R-free | 0.25960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.704 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.463 | 19.703 | 2.740 |
| High resolution limit [Å] | 2.599 | 8.220 | 2.600 |
| Rmerge | 0.039 | 0.347 | |
| Rmeas | 0.042 | 0.375 | |
| Rpim | 0.014 | 0.138 | |
| Total number of observations | 5007 | 15198 | |
| Number of reflections | 16765 | ||
| <I/σ(I)> | 18 | 48.1 | 5 |
| Completeness [%] | 98.4 | 92.8 | 93.9 |
| Redundancy | 8.6 | 8.8 | 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) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
