3REG

Crystal structure of EhRho1 bound to a GTP analog and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-11-18
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	36.468, 39.497, 63.578
Unit cell angles	81.75, 80.76, 65.44

Refinement procedure

Resolution	32.958 - 1.801
R-factor	0.1744
Rwork	0.172
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1A2B
RMSD bond length	0.009
RMSD bond angle	1.200
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]	40.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.278
Number of reflections	23929
<I/σ(I)>	16.1	2.8
Completeness [%]	81.6	45.9
Redundancy	2	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	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 GTPgammaS, 1 mM magnesium chloride) was mixed 1:1 with and equilibrated against crystallization solution (25% PEG 4000, 150 mM ammonium acetate, 100 mM sodium acetate pH 4.6), VAPOR DIFFUSION, HANGING DROP, temperature 291K