4YCS

Crystal structure of putative lipoprotein from Peptoclostridium difficile 630 (fragment)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	37.755, 119.501, 185.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.980
R-factor	0.18067
Rwork	0.180
R-free	0.22628
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.457
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.123	0.848
Number of reflections	57544
<I/σ(I)>	12.4	2.25
Completeness [%]	96.8	97
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.09 M Malonic Acid, 0.013 M Ammonium Citrate Tribasic, 0.006 M Succinic Acid, 0.015 M DL-Malic Acid, 0.02 M Sodium Acetate, 0.025 M Sodium Formate, 0.008 M Ammonium Tartrate Dibasic, 0.1 M HEPES:NaOH pH 7.0, 10% (w/v) PEG MME 5000, cryo 25% glycerol