4GT8

Crystal Structure of the Catalytic and ATP-binding Domain from VraS in Complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.91810
Spacegroup name	P 21 21 21
Unit cell lengths	31.192, 47.233, 89.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.451 - 1.510
R-factor	0.184
Rwork	0.183
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.208
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.540
High resolution limit [Å]	1.510	4.100	1.510
Number of reflections	21323
<I/σ(I)>	5.6	71.5	2
Completeness [%]	98.9	99.3	98.9
Redundancy	12.7	12.4	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	100 mM Tris-HCl, 450 mM MgCl2, 30% (w/v) PEG 3350, pH 8.5, vapor diffusion, temperature 293K