6XUA

Human myelin protein P2 mutant K21Q

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	2010-11-19
Detector	RAYONIX MX-225
Wavelength(s)	0.97
Spacegroup name	P 41 21 2
Unit cell lengths	57.960, 57.960, 101.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.19
Rwork	0.188
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wut
RMSD bond length	0.003
RMSD bond angle	0.649
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]	30.000	2.360
High resolution limit [Å]	2.300	2.300
Rmeas	0.153	0.848
Number of reflections	8082	568
<I/σ(I)>	11.1	2.2
Completeness [%]	99.2	97.6
Redundancy	5.1	4.7
CC(1/2)	0.995	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	38% PEG 6000, 0.1 M citrate pH 5.0