5TXU

1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (SpoIID) from Clostridium difficile in Apo Conformation

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	2016-10-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	98.043, 98.043, 108.241
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.060 - 1.950
R-factor	0.16005
Rwork	0.159
R-free	0.18397
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i1t
RMSD bond length	0.009
RMSD bond angle	1.372
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.130	0.508
Number of reflections	44267
<I/σ(I)>	15.37	5.1
Completeness [%]	100.0	100
Redundancy	9.3	9.4
CC(1/2)		0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	290	Protein: 7.0 mg/ml, 0.5M Sodium chloride, 0.05M Tris-HCl pH=7.2, 1/100 (v/v) Elastase, 2mM CB1. Crystallization condiction: Sodium Malonate 2M, pH 7