6CWC

Crystal structure of SpaA-SLH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-28
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	72.200, 72.200, 126.629
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.165
Rwork	0.162
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.852
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.072	0.056	0.521
Rmeas	0.075	0.059	0.539
Rpim	0.020	0.017	0.135
Number of reflections	30690
<I/σ(I)>	12.5
Completeness [%]	99.6	97.3	99.5
Redundancy	14.7	11.8	15.5
CC(1/2)		0.997	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	50 mM calcium chloride dihydrate, 0.1 M Bis-Tris, pH 6.5, 30% v/v PEG550 MME