1GVG

Crystal Structure of Clavaminate Synthase with Nitric Oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-02-15
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	64.270, 69.520, 70.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.540
R-factor	0.1842
Rwork	0.184
R-free	0.20740 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ds0
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.600
High resolution limit [Å]	1.540	1.540
Rmerge	0.054	0.298
Total number of observations	301822 *
Number of reflections	46381	4038 *
<I/σ(I)>	29.1	3.8
Completeness [%]	97.7	86
Redundancy	13.2	4.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	pH 7.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	Tris	100 (mM)	pH7.5
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	glycerol	10 (%)