5GU6

Crystal structure of Human ERp44 form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-18
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	81.630, 81.630, 139.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.607 - 2.000
R-factor	0.2057
Rwork	0.204
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r2j
RMSD bond length	0.004
RMSD bond angle	0.665
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.610	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	1.125
Number of reflections	36963
<I/σ(I)>	22.5	2.2
Completeness [%]	99.5	99.12
Redundancy	18.2	11.14
CC(1/2)	0.998	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	Polyethylene glycol (PEG) 8000