5U5Z

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	51.251, 73.239, 104.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.414 - 1.260
R-factor	0.1421
Rwork	0.141
R-free	0.16640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.346
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]	73.240	73.240	1.290
High resolution limit [Å]	1.260	5.640	1.260
Rmerge	0.062	0.030	0.739
Rmeas	0.065
Rpim	0.018
Total number of observations	1022444
Number of reflections	90514
<I/σ(I)>	14.8
Completeness [%]	84.7	99.8	30.6
Redundancy	11.3	11.6	5.6
CC(1/2)	0.999	1.000	0.802

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