2ZRW
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and IPP.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2008-02-21 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000, 1.13980, 1.14022, 1.04000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.444, 100.444, 333.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.690 - 2.400 |
R-factor | 0.18864 |
Rwork | 0.187 |
R-free | 0.21915 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.489 |
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 | 2.480 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.080 | 0.377 |
Number of reflections | 68516 | |
<I/σ(I)> | 23.6 | 3.2 |
Completeness [%] | 99.3 | 96.8 |
Redundancy | 6.8 | 5 |
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 |