4AGE

MTSSL spin labeled D67C mutant of MscS in the open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-01
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	127.070, 149.510, 174.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	102.700 - 4.840
R-factor	0.34013
Rwork	0.339
R-free	0.35398
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vv5
RMSD bond length	0.012
RMSD bond angle	1.281
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	4.970
High resolution limit [Å]	4.840	4.840
Rmerge	0.110	0.680
Number of reflections	16401
<I/σ(I)>	16	4.4
Completeness [%]	100.0	100
Redundancy	13	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1