4U5T

Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 61
Unit cell lengths	68.840, 68.840, 77.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.420 - 3.301
R-factor	0.2617
Rwork	0.260
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.622
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.420		3.400
High resolution limit [Å]	3.300	20.000	3.300
Rmerge	0.115	0.013	0.495
Rmeas	0.133	0.015	0.573
Total number of observations	12301
Number of reflections	3054	13	238
<I/σ(I)>	14.86	75.2	3.51
Completeness [%]	96.3	86.7	92.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.2M ammonium phos., 20% PEG3350, 3% trimethylamine N-oxide