7QB6

Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with 3-carboxybenzophenone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	I 41 2 2
Unit cell lengths	102.803, 102.803, 223.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.520
R-factor	0.1965
Rwork	0.195
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jhg
RMSD bond length	0.008
RMSD bond angle	1.002
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.920	2.660
High resolution limit [Å]	2.520	2.520
Rmerge	0.074	0.200
Rmeas	0.076	0.200
Number of reflections	20540	3210
<I/σ(I)>	33.93	1.94
Completeness [%]	99.5	99.5
Redundancy	26.3	26.7
CC(1/2)	1.000	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	1.5 M SODIUM MALONATE, protein 10 mg/ml, 3-carboxybenzophenone