1Q6L

Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-15
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	122.963, 41.931, 91.457
Unit cell angles	90.00, 96.91, 90.00

Refinement procedure

Resolution	30.000 * - 1.800
R-factor	0.17478
Rwork	0.172
R-free	0.21800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	1.770 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.200	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.030 *	0.099 *
Total number of observations	56895 *
Number of reflections	32215 *
<I/σ(I)>	5.6	3.2
Completeness [%]	91.0	77.8

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 (%)