2OF9

Crystal structure of apo AVR4 (D39A/C122S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-18
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	77.611, 77.611, 110.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.250 - 1.350
R-factor	0.17076
Rwork	0.170
R-free	0.19173
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.250	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	73560
<I/σ(I)>	38.2
Completeness [%]	98.8	89.6
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	1.5-1.9M NaFormate, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K