6EO5

Physcomitrella patens BBE-like 1 variant D396N

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	148.670, 148.670, 204.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.416 - 2.600
R-factor	0.1843
Rwork	0.183
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model based on 4ud8 (Swiss model)
RMSD bond length	0.006
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.416	48.416	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.167	0.062	2.243
Rmeas	0.173	0.065	2.323
Number of reflections	70960	909	5175
<I/σ(I)>	12.08	31.94	1.12
Completeness [%]	99.9	98.2	99.7
Redundancy	14.72	12.024	14.589
CC(1/2)	0.997	0.997	0.596

Crystallization Conditions

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