1Q6R

Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-xylulose 5-phosphate

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
Collection date	2002-12-05
Detector	CUSTOM-MADE
Wavelength(s)	0.9870
Spacegroup name	C 1 2 1
Unit cell lengths	123.912, 41.580, 91.627
Unit cell angles	90.00, 96.41, 90.00

Refinement procedure

Resolution	30.000 * - 1.760
R-factor	0.1915
Rwork	0.190
R-free	0.22900 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.720 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.820
High resolution limit [Å]	1.760	1.760
Rmerge	0.058 *	0.482 *
Total number of observations	653244 *
Number of reflections	46548 *
<I/σ(I)>	18.1	2.62
Completeness [%]	98.2	98.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7	298	16% MePEG 2000, 50 mM BTP pH 7.0, 5 mM MgCl2, microbatch, temperature 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	BTP	100 (mM)	pH7.0
6	1	1		5 (mM)
7	1	1	PEG5000 ME	16 (%)