1I29

CRYSTAL STRUCTURE OF CSDB COMPLEXED WITH L-PROPARGYLGLYCINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293.15
Detector technology	IMAGE PLATE
Collection date	1998-05-23
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.54180
Spacegroup name	P 43 21 2
Unit cell lengths	128.459, 128.459, 136.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.209
R-free	0.23300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1c0n
RMSD bond length	0.006
RMSD bond angle	22.500 *
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	5.100
High resolution limit [Å]	2.800	2.800
Rmerge	0.096	0.341
Total number of observations	65095 *
Number of reflections	23684
<I/σ(I)>	10.6
Completeness [%]	82.3	78.5
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	25 *	sodium acetate, potassium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.15K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)	pH7.4
2	1	reservoir	KPB	0.1 (M)
3	1	reservoir	sodium acetate	1.4 (M)	pH6.8
4	1	drop	KPB	10 (mM)