2ABR

Structure of D280A arginine deiminase with L-arginine forming a S-alkylthiouronium reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-12-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	90.600, 120.600, 147.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
Rwork	0.214
R-free	0.27400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2aaf
RMSD bond length	0.024
RMSD bond angle	2.300
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.103	0.263
Number of reflections	34967
Completeness [%]	96.2	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	38% MPD (2-methyl-2,4-pentanediol), 6% PEG 3350, 0.1 M Tris-HCl, L-arginine 0.02 M, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K