5COA
Crystal structure of iridoid synthase at 2.2-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 42 21 2 |
Unit cell lengths | 160.290, 160.290, 85.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.900 - 2.200 |
R-factor | 0.1763 |
Rwork | 0.175 |
R-free | 0.20670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v6g |
RMSD bond length | 0.005 |
RMSD bond angle | 0.923 |
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] | 38.900 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.670 |
Number of reflections | 56895 | |
<I/σ(I)> | 7 | 4 |
Completeness [%] | 99.4 | 100 |
Redundancy | 8.9 | 9.3 |
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 |