6CWM

Crystal structure of SpaA-SLH/G109A

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	2015-07-19
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	34.348, 65.668, 73.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.150
R-factor	0.1322
Rwork	0.131
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cwc
RMSD bond length	0.024
RMSD bond angle	2.158
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]	50.000	50.000	1.170
High resolution limit [Å]	1.150	3.120	1.150
Rmerge	0.043	0.032	0.745
Rmeas	0.047	0.035	0.806
Rpim	0.018	0.014	0.303
Total number of observations	419434
Number of reflections	57497
<I/σ(I)>	12.8
Completeness [%]	96.4	91	93.5
Redundancy	7.3	6.4	6.9
CC(1/2)		0.998	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.2 M ammonium acetate, 0.1 M Tris, pH 8.5, 25% w/v PEG3350