7B0E

Crystal structure of SmbA loop deletion mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	56.040, 56.040, 205.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.523 - 1.400
R-factor	0.1494
Rwork	0.148
R-free	0.17730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs8
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.12-2829-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.530	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.098
Rpim	0.021
Number of reflections	65594	6381
<I/σ(I)>	20.6	2.6
Completeness [%]	99.9	99.87
Redundancy	22.9	22.9
CC(1/2)	0.990	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.2M CaCl2, 0.1M Tris pH 8.0, 20% w/v PEG 6000