1NVM

Crystal structure of a bifunctional aldolase-dehydrogenase : sequestering a reactive and volatile intermediate

Experimental procedure

Experimental method	MULTIPLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-14
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	102.200, 140.000, 191.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
Rwork	0.189
R-free	0.23200 *
Structure solution method	MAD
RMSD bond length	0.012 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.078	0.565
Total number of observations	1829280 *
Number of reflections	299052
<I/σ(I)>	18.7	2
Completeness [%]	99.7	99.3
Redundancy	6.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	290 *	Manjasetty, B.A., (2001) Acta Crystallogr.,Sect.D, 57, 582. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	50 (mM)	pH7.4
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	protein	9 (mg/ml)
4	1	reservoir	PEG8000	15 (%)
5	1	reservoir	ammonium sulfate	100 (mM)
6	1	reservoir	PIPES	100 (mM)	pH7.5