6MPL

Racemic M2-TM I39A crystallized from racemic detergent

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P -1
Unit cell lengths	17.120, 18.840, 37.020
Unit cell angles	94.27, 90.02, 109.51

Refinement procedure

Resolution	17.701 - 1.550
R-factor	0.25
Rwork	0.249
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rwc
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.701	1.605
High resolution limit [Å]	1.550	1.550
Rmeas	0.052	0.155
Rpim	0.028	0.084
Number of reflections	6048	577
<I/σ(I)>	12.36	5.19
Completeness [%]	95.5	93.97
Redundancy	3.4	3.5
CC(1/2)	0.998	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1 M N-(2-Acetamido)iminodiacetic acid 20% v/v (+/-)-2-Methyl-2,4-pentanediol