5TTA

A 1.85A X-Ray Structure from Peptoclostridium difficile 630 of a Hypothetical Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	30.780, 51.040, 81.120
Unit cell angles	73.38, 82.06, 86.35

Refinement procedure

Resolution	30.475 - 1.850
R-factor	0.1824
Rwork	0.180
R-free	0.22940
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.806
Data reduction software	XDS (autoPROC)
Data scaling software	Aimless (autoPROC)
Phasing software	PHENIX (dev_2203)
Refinement software	PHENIX (dev_2203)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.475	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.071	0.614
Number of reflections	39052
<I/σ(I)>	18.7	3.3
Completeness [%]	97.6	95.6
Redundancy	7.8	7.7
CC(1/2)	0.999	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	Protein: 14.5mg/ml, 0.1M Tris HCl (pH 8.3) Screen: PACT (A3), 0.1M SPG buffer (pH 6.0), 25% (w/v) PEG 1500