3UTS

1E6-A*0201-ALWGPDPAAA Complex, Monoclinic

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 21 1
Unit cell lengths	93.680, 84.590, 126.280
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	63.140 - 2.712
R-factor	0.2046
Rwork	0.201
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.244
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.140	63.140	2.780
High resolution limit [Å]	2.712	12.130	2.712
Rmerge		0.031	0.706
Total number of observations		2307	16310
Number of reflections	53477
<I/σ(I)>	11.1	19.8	1
Completeness [%]	99.4	96.1	99.4
Redundancy	4.1	3.7	4.2

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