7NSR

Myelin protein P2 I50del

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 41 21 2
Unit cell lengths	66.140, 66.140, 101.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.770 - 1.500
R-factor	0.1827
Rwork	0.182
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nr3
RMSD bond length	0.021
RMSD bond angle	1.880
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.770	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	36689	2657
<I/σ(I)>	17.64	1.08
Completeness [%]	99.9	99.3
Redundancy	13.9	13.69
CC(1/2)	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	1.9 M Sodium malonate dibasic monohydrate pH 6.4