7NRW

Human myelin protein P2 mutant M114T

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]	80
Detector technology	PIXEL
Collection date	2020-03-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 41 21 2
Unit cell lengths	64.790, 64.790, 100.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.720 - 2.000
Rwork	0.207
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bvm
RMSD bond length	0.012
RMSD bond angle	1.118
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.000	2.000
Rmeas	0.255
Number of reflections	15156	1092
<I/σ(I)>	11.59
Completeness [%]	99.9	99.7
Redundancy	13.8
CC(1/2)	0.994	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.4 M Sodium malonate