1IVH

STRUCTURE OF HUMAN ISOVALERYL-COA DEHYDROGENASE AT 2.6 ANGSTROMS RESOLUTION: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1994-04
Detector	RIGAKU
Spacegroup name	P 21 21 21
Unit cell lengths	94.000, 97.700, 181.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.600
R-factor	0.207
Rwork	0.207
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1MDE
RMSD bond length	0.009
RMSD bond angle	22.530 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.070	0.219 *
Number of reflections	42529
<I/σ(I)>	11.5	2.3
Completeness [%]	82.2	61
Redundancy	2.4	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	19 *	PROTEIN WAS CRYSTALLIZED FROM 8% PEG 8000, 0.1 M TRIS, PH 8.5 AT 19 DEGREES CELSIUS., temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	human IVD	8 (mg/ml)
2	1	drop	PEG8000	4 (%(w/v))
3	1	drop	Tris-HCl	50 (mM)
4	1	reservoir	PEG8000	8 (%(w/v))
5	1	reservoir	Tris-HCl	100 (mM)