4XAA

Crystal Structure of AviO1 from Streptomyces viridochromogenes Tue57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.485
Spacegroup name	P 21 21 2
Unit cell lengths	72.119, 115.144, 33.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.057 - 2.300
R-factor	0.1897
Rwork	0.188
R-free	0.22130
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.104
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((1.10pre_2083: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.340
High resolution limit [Å]	2.300	6.230	2.300
Rmerge	0.070	0.045	0.440
Rmeas	0.080	0.051	0.550
Rpim	0.038	0.022	0.321
Total number of observations	45967
<I/σ(I)>	14.9
Completeness [%]	86.7	77.9	61.1
Redundancy	4	4.6	2.8
CC(1/2)		0.998	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	293	100 mM CAPS, 1.2 M NaH2PO4, 0.8 M K2HPO4, 0.2 M Li2SO4