2OF8

Crystal structure of AVR4 (D39A/C122S)-BNA complex

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	2005-06-13
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	78.175, 78.175, 110.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.250 - 1.050
R-factor	0.16408
Rwork	0.163
R-free	0.17659
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.462
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	1.090
High resolution limit [Å]	1.050	1.050
Rmerge	0.062
Number of reflections	150801
<I/σ(I)>	47.5
Completeness [%]	100.0	100
Redundancy	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	1.5-1.9M NaFormat, 0.1M Acetate, PH 4.2-4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K