6G6I

MamM CTD W247A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	38.652, 65.754, 68.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.490 - 2.400
R-factor	0.2258
Rwork	0.221
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5x
RMSD bond length	0.006
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.490	47.490	2.490
High resolution limit [Å]	2.400	8.960	2.400
Rmerge	0.193	0.052	1.500
Rmeas	0.205	0.056	1.594
Rpim	0.068	0.020	0.528
Number of reflections	7305	179	719
<I/σ(I)>	9.7
Completeness [%]	99.7	99.8	97.2
Redundancy	8.7	6.7	8.7
CC(1/2)	0.996	0.999	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M BIS-TRIS pH=5.5, 20% PEG 3350