5U5X

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	2016-08-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	51.006, 74.935, 107.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.523 - 1.550
R-factor	0.1607
Rwork	0.159
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.225
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]	53.523	53.520	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.087	0.052	1.073
Number of reflections	56145
<I/σ(I)>	11.7
Completeness [%]	93.0	99.8	57.7
Redundancy	10.4	10.9	4.1
CC(1/2)	0.999	0.999	0.597

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