5UG2

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	51.309, 72.848, 104.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.744 - 1.340
R-factor	0.1552
Rwork	0.154
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.067
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]	59.744	59.740	1.370
High resolution limit [Å]	1.340	5.990	1.340
Rmerge	0.060	0.024	1.108
Number of reflections	87297
<I/σ(I)>	15.6
Completeness [%]	98.5	99.9	84.7
Redundancy	11.1	11.7	5.4
CC(1/2)	1.000	1.000	0.695

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