5U61

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	51.032, 74.782, 106.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.416 - 1.222
R-factor	0.1214
Rwork	0.120
R-free	0.14080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.324
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]	106.830	106.830	1.260
High resolution limit [Å]	1.220	5.330	1.220
Rmerge	0.039	0.025	0.196
Rmeas	0.041
Rpim	0.011
Total number of observations	1084844
Number of reflections	87558
<I/σ(I)>	29.5
Completeness [%]	72.1	98.4	11
Redundancy	12.4	11.7	5.5
CC(1/2)	1.000	0.999	0.978

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