3REF

Crystal structure of EhRho1 bound to GDP and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-11-05
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	50.300, 54.476, 132.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.324 - 1.950
R-factor	0.1586
Rwork	0.157
R-free	0.19740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dpf
RMSD bond length	0.009
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.324	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.047	0.187
Number of reflections	27267
<I/σ(I)>	21.9	2.5
Completeness [%]	99.4	99.4
Redundancy	2.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	EhRho1 at 15 mg/mL in crystallization buffer (50 mM Tris pH 8.0, 250 mM NaCl, 2.5% (v/v) glycerol, 5 mM DTT, 50 microM GDP, 1 mM magnesium chloride) was mixed 1:1 with and equilibrated against crystallization solution (1.5 M ammonium sulfate, 100 mM Tris pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K