3RHY

Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with 4-chloro-2-hydroxymethylpyridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-06-28
Detector	RIGAKU RAXIS IV++
Spacegroup name	P 21 21 21
Unit cell lengths	45.800, 73.280, 149.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.180
Rwork	0.209
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h70
RMSD bond length	0.006
RMSD bond angle	1.319
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.460	2.220
High resolution limit [Å]	2.180	2.400	2.180
Rmerge	0.075		0.462
Number of reflections	27154
<I/σ(I)>	10.1		3.3
Completeness [%]	99.9	100	98.4
Redundancy	7		5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	298	20% PEG3350, 0.2 M ammonium acetate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K