1FQ0

KDPG ALDOLASE FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-28
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	53.200, 77.790, 146.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.195
Rwork	0.195
R-free	0.25100
RMSD bond length	0.017
RMSD bond angle	1.860
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.260 *
Rmerge	0.057 *	0.142 *
Total number of observations	148386 *
Number of reflections	27601 *
<I/σ(I)>	17.2
Completeness [%]	94.0 *	80 *
Redundancy	5.1 *	2.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	293.5	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)