2B92

Crystal-structure of the N-terminal Large GTPase Domain of human Guanylate Binding protein 1 (hGBP1) in complex with GDP/AlF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	148.820, 103.921, 55.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.200
R-factor	0.207
Rwork	0.204
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b8w
RMSD bond length	0.027
RMSD bond angle	0.664
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.260
High resolution limit [Å]	3.200	3.200
Number of reflections	14438
<I/σ(I)>	17.9	6.8
Completeness [%]	97.4	95.4
Redundancy	9.8	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			298	12.5% Peg3350, 125mM Na2HPO4 (from Hampton Research peg/ion screen supplied at pH9.1), VAPOR DIFFUSION, HANGING DROP, temperature 298K