6IEH

Crystal structures of the hMTR4-NRDE2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-21
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97893
Spacegroup name	C 1 2 1
Unit cell lengths	148.305, 113.728, 80.717
Unit cell angles	90.00, 96.49, 90.00

Refinement procedure

Resolution	40.100 - 2.892
R-factor	0.2364
Rwork	0.235
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u4c
RMSD bond length	0.036
RMSD bond angle	2.382
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.050
High resolution limit [Å]	2.880	2.900
Rpim	0.077	0.369
Number of reflections	29469	4141
<I/σ(I)>	10
Completeness [%]	98.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	50 mM Glycine pH 9.0, 100 mM NaCl, 33% (w/v) polyethylene glycol 300 (PEG 300)