4YXV

PksG, a HMG-CoA Synthase from Bacillus subtilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	74.668, 123.632, 199.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.000 - 2.750
R-factor	0.1931
Rwork	0.191
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yxq
RMSD bond length	0.012
RMSD bond angle	1.543
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.450	66.450	2.720
High resolution limit [Å]	2.600	9.010	2.600
Rmerge	0.475	0.181	1.472
Rpim	0.220	0.094	0.673
Total number of observations	157947	3407	19677
Number of reflections	28839
<I/σ(I)>	5.9	36.5	0.6
Completeness [%]	100.0	99.9	99.9
Redundancy	5.5	4.4	5.7
CC(1/2)	0.922	0.952	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20 % w/v PEG 3350, 0.2 M sodium citrate, 0.1 M Bis Tris propane