5U5Y

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	51.260, 74.663, 106.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.223 - 1.300
R-factor	0.1655
Rwork	0.164
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.371
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]	74.660	74.660	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.060	0.023	0.900
Rmeas	0.063
Rpim	0.018
Total number of observations	1054450
Number of reflections	93112
<I/σ(I)>	16.6
Completeness [%]	91.6	99.9	52.8
Redundancy	11.3	11.7	6
CC(1/2)	1.000	1.000	0.735

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