4YXQ

PksG, a HMG-CoA Synthase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	74.620, 122.040, 198.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.740 - 2.470
R-factor	0.2281
Rwork	0.226
R-free	0.27090
RMSD bond length	0.012
RMSD bond angle	1.465
Data reduction software	XDS
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]	69.840	69.840	2.540
High resolution limit [Å]	2.470	11.340	2.470
Rmerge	0.253	0.058	1.065
Rpim	0.103	0.024	0.436
Total number of observations	458826	4916	31069
Number of reflections	65451
<I/σ(I)>	6.2	12.8	1.9
Completeness [%]	100.0	99.2	100
Redundancy	7	6.2	6.9
CC(1/2)	0.985	0.998	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	0.1 M MMT, 25% PEG 1500, 30% glycerol