1DWK

STRUCTURE OF CYANASE WITH THE DI-ANION OXALATE BOUND AT THE ENZYME ACTIVE SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-15
Detector	ARGONNE APS-1
Spacegroup name	P 1
Unit cell lengths	76.330, 80.930, 82.130
Unit cell angles	70.10, 71.95, 66.42

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.139 *
Rwork	0.146
R-free	0.17800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dw9
RMSD bond length	0.017 *
RMSD bond angle	0.031 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.047 *	0.171 *
Total number of observations	436555 *
Number of reflections	190231
<I/σ(I)>	26.4	3.9
Completeness [%]	95.4	79.4
Redundancy	2.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	18 *	SELENOMETHIONINE LABELLED CRYSTALS WERE GROWN BY THE SITTING DROP METHOD OF VAPOUR DIFFUSION FROM 50% AMMONIUM SULPHATE SOLUTIONS BUFFERED WITH 50MM NAKPO4, PH = 7.3, AND IN THE PRESENCE OF 50 MM TRIC/HCL, PH =7.3. MICROSEEDING WITH WILD-TYPE CRYSTALS PRODUCED CRYSTALS THAT GREW TO 0.1 X 0.2 X 0.7 MM**3 OVER 5-7 DAYS. CRYSTALS WERE THEN SOAKED FOR 4 HOURS IN 5 MM SODIUM OXALATE BEFORE BEING FLASH FROZEN.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammp,ium sulfate	2.1 (M)
2	1	reservoir		50 (mM)
3	1	reservoir	Tris-HCl	50 (mM)