5F6A

Drosophila Melanogaster Cycle W398A PAS-B with Empty Pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-05
Detector	DECTRIS PILATUS3 R 100K-A
Wavelength(s)	.987
Spacegroup name	C 1 2 1
Unit cell lengths	72.999, 44.523, 38.185
Unit cell angles	90.00, 115.32, 90.00

Refinement procedure

Resolution	34.516 - 1.930
R-factor	0.2257
Rwork	0.223
R-free	0.25040
RMSD bond length	0.004
RMSD bond angle	0.645
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.097	0.058	0.486
Rmeas	0.117	0.070	0.629
Rpim	0.064	0.038	0.395
Total number of observations	19318
Number of reflections	6663
<I/σ(I)>	4.3
Completeness [%]	78.5	100	34.7
Redundancy	2.9	3.2	1.6
CC(1/2)		0.987	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium Sulfate