5UQM

Clostridium difficile Toxin B (TcdB) glucosyltransferase domain in complex with U2F

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 41 21 2
Unit cell lengths	61.910, 61.910, 325.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.279 - 2.030
R-factor	0.1981
Rwork	0.197
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvl
RMSD bond length	0.014
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	53.790
High resolution limit [Å]	2.030
Rmerge	0.073
Number of reflections	42362
<I/σ(I)>	23.8
Completeness [%]	99.6
Redundancy	11.3
CC(1/2)	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.1 M MES, 0.2 ammonium sulfate, PEG 8k 16-34%