1S9R

CRYSTAL STRUCTURE OF ARGININE DEIMINASE COVALENTLY LINKED WITH A REACTION INTERMEDIATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	76.830, 76.360, 82.850
Unit cell angles	90.00, 107.96, 90.00

Refinement procedure

Resolution	19.460 - 1.600
R-factor	0.168
Rwork	0.168
R-free	0.20200
Structure solution method	MIR
RMSD bond length	0.017
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.088	0.354
Number of reflections	116186
Completeness [%]	97.1	94.7
Redundancy	2.82

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	282	PEG 6000, POTASSIUM PHOSPHATE, ARGININE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 282K