1KW1

Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase with bound L-gulonate 6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	274
Detector technology	AREA DETECTOR
Collection date	2001-05-01
Detector	SIEMENS HI-STAR
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	123.978, 42.071, 91.837
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.18
Rwork	0.180
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kv8
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	FRMABO
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.030	0.099 *
Total number of observations	56895 *
Number of reflections	22847 *
<I/σ(I)>	15.7	3.4
Completeness [%]	91.2	77.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5 *	298	18% MePEG 5000, 50 mM bis-Tris propane, pH 7.0, 25 mM L-gulonate 6-phosphate. 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