7A66

structure of Pcc2 from Pyrococcus abyssi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	277
Detector technology	PIXEL
Collection date	2020-02-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.983988
Spacegroup name	C 1 2 1
Unit cell lengths	76.800, 81.310, 66.480
Unit cell angles	90.00, 121.59, 90.00

Refinement procedure

Resolution	15.980 - 1.850
R-factor	0.205
Rwork	0.204
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enc
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.980	15.980	1.960
High resolution limit [Å]	1.850	5.490	1.850
Rmerge	0.065	0.033	1.292
Rmeas	0.071	0.036	1.396
Total number of observations	205974
Number of reflections	29809	1159	4675
<I/σ(I)>	18.24	53.38	1.34
Completeness [%]	99.1	97.2	96.9
Redundancy	6.91	6.606	6.912
CC(1/2)	0.999	0.998	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	30% PEG 3000, 0.2 M lithium sulfate, 0.1 M Tris-HCl