1FWR

CRYSTAL STRUCTURE OF KDPG ALDOLASE DOUBLE MUTANT K133Q/T161K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	54.870, 84.500, 135.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.000 - 2.700
R-factor	0.238
Rwork	0.238
R-free	0.27600
RMSD bond length	0.006
RMSD bond angle	0.013
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.087	0.256
Number of reflections	17894 *
<I/σ(I)>	6.3
Completeness [%]	99.8 *	100 *
Redundancy	3.3	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	293	Buchanan, L.Vl., (1999) Acta Crystallogr., D55, 1946. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop	protein	3 (mg/ml)
3	1	drop	dithiothreitol	4 (mM)
4	1	reservoir	PEG6000	20 (%)
5	1	reservoir	citric acid	0.075 (M)