3UTT

1E6-A*0201-ALWGPDPAAA Complex, Triclinic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	P 1
Unit cell lengths	41.480, 98.440, 121.300
Unit cell angles	97.27, 98.16, 93.38

Refinement procedure

Resolution	29.336 - 2.600
R-factor	0.1986
Rwork	0.195
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.671
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.925	47.925	2.650
High resolution limit [Å]	2.579	11.530	2.579
Rmerge		0.072	0.736
Total number of observations		1395	9843
Number of reflections	61204
<I/σ(I)>	6.1	9.4	1
Completeness [%]	97.2	94.7	96.7
Redundancy	2.2	2.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	20% w/v PEG3350, 0.2 M sodium citrate, 0.1 M Bis-tris propane, pH 6.5, VAPOR DIFFUSION, temperature 291K