5XWM

human ERp44 zinc-bound form

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	2015-10-06
Detector	RAYONIX MX300HE
Wavelength(s)	0.9
Spacegroup name	P 61 2 2
Unit cell lengths	175.150, 175.150, 407.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.056 - 2.450
R-factor	0.1838
Rwork	0.182
R-free	0.21370
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.156	1.090
Number of reflections	135470
<I/σ(I)>	33.1	5.15
Completeness [%]	100.0	100
Redundancy	64.7	59.2
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Na malonate or Tascimate
1	VAPOR DIFFUSION, SITTING DROP		277	Na malonate or Tascimate
1	VAPOR DIFFUSION, SITTING DROP		277	Na malonate or Tascimate
1	VAPOR DIFFUSION, SITTING DROP		277	Na malonate or Tascimate