6YJ8

DarB-APO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	38.670, 67.760, 103.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.240 - 1.840
R-factor	0.2047
Rwork	0.202
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yav
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.240	50.000	1.880
High resolution limit [Å]	1.840	17.000	1.840
Rmerge	0.052	0.045	0.577
Rmeas	0.058	0.052	0.640
Total number of observations	126541
Number of reflections	24397	35	1782
<I/σ(I)>	16.81	32.09	2.51
Completeness [%]	99.1	77.8	99.7
Redundancy	5.187	3.914	5.311
CC(1/2)	0.998	0.995	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.2 M calcium acetate, 0.1 M MES pH 6.5, 15 % w/v polyethylene glycol 8000