4RWC

Racemic M2-TM crystallized from racemic detergent

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P -1
Unit cell lengths	15.350, 25.880, 26.970
Unit cell angles	90.01, 99.49, 99.91

Refinement procedure

Resolution	26.590 - 1.050
R-factor	0.1392
Rwork	0.138
R-free	0.15560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.551
Data reduction software	XPREP (2008/2 for Windows)
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.590	26.590	1.080
High resolution limit [Å]	1.050	2.910	1.050
Rmerge	0.072	0.037	0.381
Number of reflections	17458	877	702
<I/σ(I)>	12.89	6.79	2.54
Completeness [%]	92.6	98.1	65.9
Redundancy	6.01	6.79	2.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Racemic M2-TM dissolved at ~3 mg/mL in 2% solution (w/v) racemic OG. Hanging drops of 1 uL peptide stock combined with 1 uL of precipitant containing 0.1 M ADA pH 6.5, 1.0 M ammonium sulfate were equilibrated with 500 uL reservoir volumes of precipitant., VAPOR DIFFUSION, HANGING DROP, temperature 298K