4W99

Apo-structure of the Y79F,W322E-double mutant of Etr1p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2013-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	66.335, 100.933, 80.537
Unit cell angles	90.00, 102.56, 90.00

Refinement procedure

Resolution	39.305 - 2.000
R-factor	0.1735
Rwork	0.171
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.920	2.000
Rmerge	0.046	0.023	0.631
Rmeas	0.056	0.028	0.779
Total number of observations	209984
Number of reflections	69226	811	4869
<I/σ(I)>	12.76	33.16	1.59
Completeness [%]	98.2	98.1	93.5
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	2M ammonium sulfate, 0.1M ADA/NaOH pH 7