5LAL

Structure of Arabidopsis dirigent protein AtDIR6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00005
Spacegroup name	H 3
Unit cell lengths	101.090, 101.090, 90.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.107 - 1.400
R-factor	0.1697
Rwork	0.169
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rev
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.135	0.105	2.196
Number of reflections	67700
<I/σ(I)>	9.13	23.47	1.05
Completeness [%]	100.0	99.7	100
Redundancy	9.98
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M SPG buffer pH 7.0, 22.5 % PEG 1000
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M SPG buffer pH 7.0, 22.5 % PEG 1000