6XVY

Human myelin protein P2 mutant R88Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-24
Detector	RAYONIX MX-225
Wavelength(s)	0.91
Spacegroup name	P 41 21 2
Unit cell lengths	64.880, 64.880, 264.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.1611
Rwork	0.159
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wut
RMSD bond length	0.010
RMSD bond angle	1.129
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.850
High resolution limit [Å]	1.800	1.800
Rmeas	0.085	0.841
Number of reflections	53492	3745
<I/σ(I)>	19.8	2
Completeness [%]	99.4	96.9
Redundancy	7.3	5.9
CC(1/2)	0.999	0.673

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	40% PEG 1000, 0.1 M citrate pH 5.0