4AGF

MTSSL spin labeled L124C mutant of MscS in the open form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	128.840, 150.220, 175.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.210 - 4.700
R-factor	0.33441
Rwork	0.334
R-free	0.33923
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vv5
RMSD bond length	0.012
RMSD bond angle	1.278
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.000	4.950
High resolution limit [Å]	4.700	4.700
Rmerge	0.110	0.670
Number of reflections	17429
<I/σ(I)>	4.8	1.6
Completeness [%]	95.0	93.6
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1