6L7Q

Crystal structure of a hypothetical protein PYCH_01220 derived from Pyrococcus yayanosii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97943
Spacegroup name	H 3
Unit cell lengths	86.278, 86.278, 62.438
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.956 - 1.160
R-factor	0.192
Rwork	0.192
R-free	0.20480
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.956	50.000	1.180
High resolution limit [Å]	1.160	2.850	1.160
Rmerge	0.052	0.043	0.267
Rmeas	0.060	0.045	0.304
Rpim	0.020	0.015	0.140
Number of reflections	51395	3188	3000
<I/σ(I)>	24.1
Completeness [%]	85.7	78.7	73.3
Redundancy	6.2	9.3	3.1
CC(1/2)		0.999	0.744

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1M Tris (pH 8.5), 0.05M Magnesium sulfate, 1.8M Ammonium sulfate