5MHB

Product-Complex of E.coli 5-Amino Laevulinic Acid Dehydratase

Replaces:  5IC2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.069
Spacegroup name	I 4 2 2
Unit cell lengths	128.619, 128.619, 142.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.570 - 2.100
R-factor	0.15953
Rwork	0.157
R-free	0.21285
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1b4e
RMSD bond length	0.028
RMSD bond angle	2.541
Data reduction software	MOSFLM (5.8.0107)
Data scaling software	SCALA
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.800	2.210	2.190
High resolution limit [Å]	2.100	2.100	2.070
Rmerge	0.116	0.725	0.368
Number of reflections	34248
<I/σ(I)>	7.8	1.9	3.2
Completeness [%]	97.1	98	68.1
Redundancy	4.8	4.3	4.3
CC(1/2)	0.994	0.692	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	ALAD at 7 mg per ml mixed with equal volume of well solution: 200 mM Tris pH 8.0 - 8.4, 2 % saturated Ammonium sulphate, 200 microM zinc sulphate, 6 mM beta-mercaptoethanol and 3 mM porphobilinogen. Crystals were grown in the dark.
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	ALAD at 7 mg per ml mixed with equal volume of well solution: 200 mM Tris pH 8.0 - 8.4, 2 % saturated Ammonium sulphate, 200 microM zinc sulphate, 6 mM beta-mercaptoethanol and 3 mM porphobilinogen. Crystals were grown in the dark.