6XVQ

Human myelin protein P2 mutant K31Q

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	58.240, 58.240, 102.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.1477
Rwork	0.145
R-free	0.19220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wut
RMSD bond length	0.009
RMSD bond angle	1.001
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	0.117	0.981
Number of reflections	16817	1217
<I/σ(I)>	19	2.5
Completeness [%]	98.7	99.8
Redundancy	9.5	9.2
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	32% PEG 6000, 0.1 M citrate pH 5.0