2ZRZ
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and DMAPP
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 | 2008-06-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000, 1.13980, 1.14022, 1.04000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.879, 100.879, 334.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.850 - 2.900 |
R-factor | 0.19318 |
Rwork | 0.192 |
R-free | 0.21290 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.572 |
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 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.090 | 0.412 |
Number of reflections | 39430 | |
<I/σ(I)> | 22.1 | 2.5 |
Completeness [%] | 99.6 | 96.9 |
Redundancy | 11.9 | 6.1 |
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 |