5MLP

Structure of CDPS from Rickettsiella grylli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	43.936, 63.059, 49.615
Unit cell angles	90.00, 113.06, 90.00

Refinement procedure

Resolution	40.427 - 1.990
R-factor	0.2052
Rwork	0.203
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NA
RMSD bond length	0.008
RMSD bond angle	0.993
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.650	2.110
High resolution limit [Å]	1.990	1.990
Rmerge	0.120	0.960
Number of reflections	17008
<I/σ(I)>	7.02	1.18
Completeness [%]	98.5	93
Redundancy	4.49	4.38
CC(1/2)	0.996	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	PEG3350 15% Potassium fluoride 0.2M