6N7M

1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630.

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	2017-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	26.620, 58.688, 77.329
Unit cell angles	90.00, 94.47, 90.00

Refinement procedure

Resolution	24.520 - 1.780
R-factor	0.24828
Rwork	0.246
R-free	0.28386
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.102	0.830
Rmeas	0.113	0.950
Rpim	0.048	0.450
Number of reflections	22345	1068
<I/σ(I)>	11.1	2.1
Completeness [%]	97.7	97.89
Redundancy	5.2	4.1
CC(1/2)	0.990	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 9.3 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: Classics II (H11), 0.1M Potassium thiocyanate, 30% (w/v) PEG 2000 MME.