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