7Y47
Crystal structure of bifunctional miltiradiene synthase from selaginella moellendorffii that complexed with GGPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.859, 83.971, 192.535 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.310 - 2.500 |
R-factor | 0.1896 |
Rwork | 0.186 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wat |
RMSD bond length | 0.009 |
RMSD bond angle | 0.998 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.071 | |
Number of reflections | 31123 | 1596 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 96.4 | 95.1 |
Redundancy | 11.4 | |
CC(1/2) | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M MES (pH 6.5) 22% (v/v) PEG2000 MME |