6RO1

X-ray crystal structure of the MTR4 NVL complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 61
Unit cell lengths	184.365, 184.365, 90.528
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	60.348 - 3.070
R-factor	0.2256
Rwork	0.223
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ieh
RMSD bond length	0.003
RMSD bond angle	0.478
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.180	92.180	3.220
High resolution limit [Å]	3.070	10.170	3.070
Rmerge	0.157	0.049	5.270
Rmeas	0.168	0.052	5.640
Rpim	0.057	0.018	1.990
Number of reflections	33031	961	4350
<I/σ(I)>	12.6
Completeness [%]	99.9	99.9	99.5
Redundancy	16.5	15.3	15.7
CC(1/2)	0.990	0.990	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.1M Tris/HCl pH 8.0, 1.8M Ammonium Sulphate