6NIB

Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-04
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	146.996, 75.504, 47.103
Unit cell angles	90.00, 108.56, 90.00

Refinement procedure

Resolution	34.695 - 1.200
R-factor	0.112
Rwork	0.112
R-free	0.13670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vkp
RMSD bond length	0.014
RMSD bond angle	1.397
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	STARANISO
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.960	1.280
High resolution limit [Å]	1.200	1.200
Rmerge	0.031	0.463
Rmeas	0.036	0.560
Rpim	0.019	0.309
Number of reflections	121248	5584
<I/σ(I)>	19.1	2.5
Completeness [%]	93.8	58.5
Redundancy	3.63	3.12
CC(1/2)	1.000	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	0.2 M Sodium Acetate, 20% PEG 3350, cryoprotected with 25% Glycerol