5UQN

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	62.390, 62.390, 328.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.190 - 2.060
R-factor	0.2044
Rwork	0.203
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bvl
RMSD bond length	0.008
RMSD bond angle	1.015
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]	54.670
High resolution limit [Å]	2.060
Rmerge	0.069
Number of reflections	41228
<I/σ(I)>	23.2
Completeness [%]	99.1
Redundancy	11.2
CC(1/2)	0.946

Crystallization Conditions

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