6G55

MamM CTD C267S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97631
Spacegroup name	C 2 2 21
Unit cell lengths	37.305, 94.371, 53.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.430 - 1.650
R-factor	0.1917
Rwork	0.190
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5x
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.430	35.430	1.680
High resolution limit [Å]	1.650	9.030	1.650
Rmerge	0.039	0.024	1.450
Rmeas	0.044	0.029	1.635
Rpim	0.020	0.015	0.737
Number of reflections	11722	85	575
<I/σ(I)>	16.8
Completeness [%]	99.5	97.3	97.9
Redundancy	4.6	3.9	4.5
CC(1/2)	0.999	1.000	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M LiSu, 0.1M BIS-TRIS pH=5.5, 25% PEG 3350