5F5Y

WT Drosophila Melanogaster Cycle PAS-B with Bound Ethylene Glycol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-22
Detector	ADSC QUANTUM 210
Wavelength(s)	.987
Spacegroup name	C 1 2 1
Unit cell lengths	72.710, 44.518, 38.437
Unit cell angles	90.00, 116.36, 90.00

Refinement procedure

Resolution	32.575 - 2.196
R-factor	0.2023
Rwork	0.198
R-free	0.24520
RMSD bond length	0.003
RMSD bond angle	0.543
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.190	5.940	2.190
Rmerge	0.068	0.046	0.192
Rmeas	0.080	0.055	0.234
Rpim	0.042	0.029	0.132
Total number of observations	19177
Number of reflections	5571
<I/σ(I)>	12.7
Completeness [%]	97.8	97.4	82.9
Redundancy	3.4	3.3	2.5
CC(1/2)		0.997	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium Sulfate