5TV7

2.05 Angstrom Resolution Crystal Structure of Peptidoglycan-Binding Protein from Clostridioides difficile in Complex with Glutamine Hydroxamate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	134.949, 35.008, 101.533
Unit cell angles	90.00, 126.25, 90.00

Refinement procedure

Resolution	29.080 - 2.050
R-factor	0.17346
Rwork	0.172
R-free	0.21030
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.313
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.080	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.093	0.769
Number of reflections	24487
<I/σ(I)>	28.1	2.06
Completeness [%]	100.0	99.9
Redundancy	5	5
CC(1/2)		0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	Protein: 7.8 mg/ml, 0.25M Sodium chloride, 0.01M Tris HCl (pH 8.3), Screen: JCSG+ (B3), 0.1M Bicine (pH 8.5), 20% (w/v) PEG 6000.