5XHU

Crystal structure of ycgT from bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-29
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	C 2 2 2
Unit cell lengths	72.371, 164.598, 76.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.720 - 2.100
R-factor	0.203
Rwork	0.201
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.415
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.085	0.021	0.830
Rmeas	0.092	0.023	0.893
Rpim	0.034	0.009	0.328
Number of reflections	27133
<I/σ(I)>	8.9
Completeness [%]	100.0	99.6	99.9
Redundancy	7.2	6.4	7.3
CC(1/2)		0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Tris buffer pH 8.6, 0.2 M tri-Sodium citrate, and 40% PEG400