3IQX

ADP complex of C.therm. Get3 in closed form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-15
Detector	MARRESEARCH
Wavelength(s)	0.87260
Spacegroup name	P 21 21 21
Unit cell lengths	46.750, 105.590, 137.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 3.500
R-factor	0.23202
Rwork	0.229
R-free	0.29518
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AMPPNP complex of C. therm. Get3
RMSD bond length	0.019
RMSD bond angle	2.030
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.700
High resolution limit [Å]	3.500	3.500
Number of reflections	9088
<I/σ(I)>	6.56
Completeness [%]	100.0	100
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.02M MgCl2, 0.1M Tris, 39% ethanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K