5U60

CcP gateless cavity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	50.894, 73.372, 105.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.808 - 1.500
R-factor	0.1554
Rwork	0.154
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	105.120	105.120	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.066	0.029	1.317
Rmeas	0.069
Rpim	0.020
Total number of observations	742053
Number of reflections	63695
<I/σ(I)>	14.9
Completeness [%]	99.8	99.9	97.4
Redundancy	11.7	11.4	6.5
CC(1/2)	1.000	1.000	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	283	Compound soaked into crystal grown in equal volume of 500mM MES buffer (pH 6.0) and 25% MPD