1KV8

Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	123.470, 41.631, 90.633
Unit cell angles	90.00, 97.20, 90.00

Refinement procedure

Resolution	500.000 - 1.620
R-factor	0.182
Rwork	0.182
R-free	0.19900
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	1.303
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	1.670
High resolution limit [Å]	1.620	1.620
Rmerge	0.043	0.181
Total number of observations	480987 *
Number of reflections	8810 *
<I/σ(I)>	39.8	5.8
Completeness [%]	97.2 *	90.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5 *	298	20% MePEG 5000, 100 mM sodium/potassium phosphate, 100 mM PIPES, pH 7.0, Micro-batch at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	HEPES	50 (mM)	pH7.5
2	1	1		5 (mM)
3	1	1		100 (mM)
4	1	1	protein	15 (mg/ml)
5	1	1	MePEG5000	18 (%)
6	1	1	sodium potassium phosphate	50 (mM)
7	1	1	bis-Tris-propane	50 (mM)	pH7.0