6S2S

Hydrogenated human myelin protein P2 at 0.86-A resolution

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	2014-05-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.8266
Spacegroup name	P 41 21 2
Unit cell lengths	57.930, 57.930, 101.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.965 - 0.860
R-factor	0.0994
Rwork	0.099
R-free	0.11780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bvm
RMSD bond length	0.020
RMSD bond angle	1.861
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2140: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.880
High resolution limit [Å]	0.860	0.860
Rmeas	0.068	1.758
Number of reflections	137969	9267
<I/σ(I)>	14.7	1.2
Completeness [%]	94.4	87
Redundancy	7.2	7
CC(1/2)	0.997	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	24% PEG6000, 0.1 M sodium citrate