5COB
Crystal structure of iridoid synthase in complex with NADP+ and 8-oxogeranial at 2.65-angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.988, 171.914, 66.032 |
| Unit cell angles | 90.00, 89.72, 90.00 |
Refinement procedure
| Resolution | 36.137 - 2.650 |
| R-factor | 0.1971 |
| Rwork | 0.194 |
| R-free | 0.24500 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.137 | 2.710 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.075 | 0.266 |
| Number of reflections | 43695 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 98.8 | 99.3 |
| Redundancy | 3.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.1 M HEPES pH 7.5, 1.98 M ammonium sulfate, 1% PEG 400 |
