7CQT
Crystal structure of Brassica juncea HMG-CoA synthase 1 mutant - S359A in complex with acetyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97939 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.610, 121.610, 118.610 |
Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
Resolution | 34.624 - 2.800 |
Rwork | 0.227 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f82 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.624 | 2.870 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 44202 | 3158 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 94.7 | 100 |
Redundancy | 3.71 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 277.15 | 17% (wt to vol) PEG 20000, 0.27M, trimethylamine N-oxide, 100mM Pipes (pH 6.7), 2 mM DT |