6EO4

Physcomitrella patens BBE-like 1 wild-type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.009
Spacegroup name	P 41 21 2
Unit cell lengths	149.230, 149.230, 205.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.592 - 2.900
R-factor	0.1837
Rwork	0.182
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PpBBE-like 1 D396N variant
RMSD bond length	0.009
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.592	48.592	3.000
High resolution limit [Å]	2.900	10.000	2.900
Rmerge	0.264	0.060	2.405
Rmeas	0.269	0.061	2.451
Number of reflections	52047	1420	4943
<I/σ(I)>	13.4	43.1	1.64
Completeness [%]	99.9	98.8	100
Redundancy	25.917	22.082	26.531
CC(1/2)	0.998	0.999	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Mg(OOCH)2, 13/14 % PEG 3350