2OFA

Crystal structure of apo AVR4 (R112L,C122S)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-16
Detector	MAR CCD 165 mm
Spacegroup name	P 41 21 2
Unit cell lengths	77.852, 77.852, 110.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.250 - 1.500
R-factor	0.17326
Rwork	0.172
R-free	0.18846
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.016
RMSD bond angle	1.573
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	1.530
High resolution limit [Å]	1.500	1.500
Rmerge		0.487
Number of reflections	55076
Completeness [%]	99.8	97.8
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	293	1.5-1.9M NaFormate, 0.1M Acetate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K