2ZRU
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2008-02-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000, 1.13980, 1.14022, 1.04000 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 100.745, 100.745, 336.829 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.500 - 2.000 |
| R-factor | 0.18747 |
| Rwork | 0.186 |
| R-free | 0.22253 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.462 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.087 | 0.268 |
| Number of reflections | 119401 | |
| <I/σ(I)> | 24.6 | 8.3 |
| Completeness [%] | 99.4 | 96.9 |
| Redundancy | 8.4 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 30% PEG 400, 0.2M sodium citrate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, temperature 293K |
