5U9Z

Phosphoglycerol transferase GacH from Streptococcus pyogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-15
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	68.870, 78.170, 172.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.506 - 2.001
R-factor	0.2162
Rwork	0.215
R-free	0.23950
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.7.12)
Refinement software	PHENIX (dev_2481)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.506	49.506	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.083	0.077	0.827
Rmeas	0.097
Total number of observations	430511
Number of reflections	119913
<I/σ(I)>	8.5	18.42	1.11
Completeness [%]	98.7	99.5	90
Redundancy	3.59	3.664	2.469
CC(1/2)	0.993	0.986	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1M HEPES pH 7.5, 10% PEG8000, 8% ethylene glycol