3WGD

Crystal structure of ERp46 Trx1

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	2012-07-03
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	50.440, 94.680, 142.020
Unit cell angles	90.00, 90.85, 90.00

Refinement procedure

Resolution	34.773 - 2.500
R-factor	0.1903
Rwork	0.188
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.680
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.500	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	45514
Completeness [%]	98.2	94.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.092M Sodium phosphate, 1.308M Potassium phosphate, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K