1U0H

STRUCTURAL BASIS FOR THE INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY MANT-GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-23
Detector	SBC-3
Wavelength(s)	1.0393
Spacegroup name	P 21 21 2
Unit cell lengths	118.400, 133.000, 70.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.900
Rwork	0.245
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azs
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.910
Number of reflections	21911
<I/σ(I)>	7.8	1.9
Completeness [%]	88.1	83.2
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	7.5-7.8% PEG 8000, 0.5M NACL, 0.1M PHOSPHATE BUFFER, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K