1B4K

High resolution crystal structure of a MG2-dependent 5-aminolevulinic acid dehydratase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	1998-07-16
Detector	MARRESEARCH
Spacegroup name	P 4 21 2
Unit cell lengths	128.240, 128.240, 86.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.300 - 1.670
Rwork	0.178
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aw5
RMSD bond length	0.011 *
RMSD bond angle	2.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.300	1.760
High resolution limit [Å]	1.670	1.670
Rmerge	0.054 *	0.269 *
Total number of observations	719706 *
Number of reflections	81840
<I/σ(I)>	9	2.8
Completeness [%]	98.2	94.1
Redundancy	8.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	20 *	drop contained equal volume of protein and reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop		10 (mM)
4	1	reservoir	ammonium sulfate	1.2 (M)
5	1	reservoir	glycerol	12 (%(v/v))
6	1	reservoir	isopropanol	3 (%(v/v))
7	1	reservoir	Tris-HCl	0.1 (M)