2AFI

Crystal Structure of MgADP bound Av2-Av1 Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	72.915, 141.432, 165.549
Unit cell angles	73.69, 79.37, 76.58

Refinement procedure

Resolution	49.430 - 3.100
R-factor	0.229
Rwork	0.229
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m1n 2nip
RMSD bond length	0.015
RMSD bond angle	2.600
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.100	3.100
Number of reflections	97281
<I/σ(I)>	8.8	2.7
Completeness [%]	88.2	72
Redundancy	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	PEG8000, Sodium Chloride, Magnesium Chloride, ADP, Dithionite, TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298 K