5WCX

Streptococcus pyogenes phosphoglycerol transferase GacH in complex with sn-glycerol-1-phosphate, crystal form 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	68.970, 77.530, 174.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.431 - 2.000
R-factor	0.1828
Rwork	0.181
R-free	0.21180
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5u9z
RMSD bond length	0.003
RMSD bond angle	0.557
Data reduction software	XDS (VERSION Nov 1, 2016 BUILT=20161205)
Data scaling software	XSCALE (VERSION Nov 1, 2016 BUILT=20161205)
Phasing software	REFMAC (5.8.0158)
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.431	49.431	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.053	0.022	1.153
Rmeas	0.058	0.024	1.256
Number of reflections	63957	820	4637
<I/σ(I)>	18.94	54.05	1.66
Completeness [%]	99.6	98.9	99.1
Redundancy	6.573	5.85	6.397
CC(1/2)	0.999	0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.2M CALCIUM ACETATE, 0.1M MES PH 6.0, 20% PEG8000