4R2I

The Crystal Structure of STIV B204 complexed with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	52.360, 58.320, 67.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 2.050
R-factor	0.1855
Rwork	0.183
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.729
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.080	44.080	2.160
High resolution limit [Å]	2.050	6.480	2.050
Rmerge		0.031	0.426
Total number of observations		1406	6663
Number of reflections	13092
<I/σ(I)>	11	15.3	1.7
Completeness [%]	97.5	92.5	99.3
Redundancy	3.4	3.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.5M ammonium phosphate dibasic, 0.1M TRIS-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K