6S2M

Perdeuterated human myelin protein P2 at 0.72-A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7443
Spacegroup name	C 1 2 1
Unit cell lengths	112.180, 36.210, 31.110
Unit cell angles	90.00, 97.03, 90.00

Refinement procedure

Resolution	27.834 - 0.720
R-factor	0.1043
Rwork	0.104
R-free	0.11070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bvm
RMSD bond length	0.020
RMSD bond angle	1.763
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.740
High resolution limit [Å]	0.720	0.720
Rmeas	0.039	1.435
Number of reflections	162608	6984
<I/σ(I)>	15.8	0.9
Completeness [%]	91.0	53.2
Redundancy	4.7	3.3
CC(1/2)	0.999	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.25	281	24% PEG6000, 0.1 M sodium citrate, pH 5