3M31

Structure of the C150A/C295A mutant of S. cerevisiae Ero1p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	73.441, 132.772, 102.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
Rwork	0.209
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1RP4 after removal of residues 146 to 166 and 291 to 302
RMSD bond length	0.005
RMSD bond angle	1.314
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	42677
<I/σ(I)>	15.4	2.2
Completeness [%]	99.0	92.1
Redundancy	4.9	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	100mM cacodylic acid, 10mM cadmium sulfate, 2% methanol, 2% ethanol, 1.2M sodium acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K