6YSA

Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.949998
Spacegroup name	P 41
Unit cell lengths	170.465, 170.465, 196.515
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.680 - 2.010
R-factor	0.2091
Rwork	0.209
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nij
RMSD bond length	0.006
RMSD bond angle	1.148
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.690	2.040
High resolution limit [Å]	2.010	2.010
Rmerge	0.120	1.400
Rpim	0.080	0.990
Number of reflections	337197	15861
<I/σ(I)>	6.8
Completeness [%]	90.2
Redundancy	2.8
CC(1/2)	0.990	0.220

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.5 M ammonium sulfate, 1 M Lithium sulfate and 0.1 M trisodium citrate