6H24

X-Ray Crystal Structure of the MSBI1.176 WH1 Domain, a Replication Protein Isolated from a Multiple Sclerosis Patient

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.85001
Spacegroup name	P 1 21 1
Unit cell lengths	32.380, 77.770, 47.680
Unit cell angles	90.00, 90.66, 90.00

Refinement procedure

Resolution	40.650 - 1.530
R-factor	0.1868
Rwork	0.185
R-free	0.21160
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.737
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XSCALE (VERSION Jan 26, 2018)
Phasing software	HKL2Map
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.650	1.580
High resolution limit [Å]	1.530	1.530
Rmerge	0.041	0.685
Rmeas	0.044	0.749
Rpim	0.017	0.297
Number of reflections	35709	3473
<I/σ(I)>	20.91	1.98
Completeness [%]	99.4	96.93
Redundancy	6.4
CC(1/2)	1.000	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M magnesium acetate, 20% PEG3350
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M magnesium acetate, 20% PEG3350
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M magnesium acetate, 20% PEG3350