7S0A
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, H786A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 189.987, 189.987, 56.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 82.270 - 2.800 |
R-factor | 0.1946 |
Rwork | 0.191 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6v0k |
RMSD bond length | 0.009 |
RMSD bond angle | 1.002 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.990 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 281047 | 39267 |
<I/σ(I)> | 6.6 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 9.6 | |
CC(1/2) | 0.970 | 0.624 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M sodium citrate pH 5.6 0.1 M sodium citrate tribasic dihydrate 2.5% tacsimate pH 5.0 17% PEG 3350 0.05 M MgCl2 |