6PRU

Photoconvertible crystals of PixJ from Thermosynechococcus elongatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033202
Spacegroup name	P 21 21 21
Unit cell lengths	42.590, 61.085, 116.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.117 - 1.539
R-factor	0.1653
Rwork	0.163
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	modified PDBID 4FOF
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.150	58.150	1.620
High resolution limit [Å]	1.539	4.870	1.540
Rmerge	0.084	0.043	2.038
Rmeas	0.087	0.044	2.165
Rpim	0.024	0.013	0.708
Total number of observations		19593	54320
Number of reflections	45364	1628	6120
<I/σ(I)>	14.4	45.6	1
Completeness [%]	98.9	100	93.1
Redundancy	12.4	12	8.9
CC(1/2)	0.999	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	298	PEG 3350, MgCl2, Bistris, NaCl, HEPES