5EO7

Crystal structure of AOL

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-24
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	125.161, 196.852, 110.605
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.680 - 2.300
R-factor	0.2205
Rwork	0.219
R-free	0.24140
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	SHARP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.680	38.680	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.145	0.046	0.730
Rpim	0.057	0.019	0.285
Total number of observations	455430	4807	33643
Number of reflections	60854
<I/σ(I)>	13	38.9	3.3
Completeness [%]	100.0	98.3	100
Redundancy	7.5	6.4	7.5
CC(1/2)	0.998	0.998	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2% (v/v) PEG-400, 2.0 M Ammonium sulfate, 0.1 M HEPES-Na