4MTU

beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-05-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.90, 1.28257, 1.28314
Spacegroup name	P 63 2 2
Unit cell lengths	78.110, 78.110, 102.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.1459
Rwork	0.146
R-free	0.15900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	0.032
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.990
High resolution limit [Å]	0.970	0.970
Number of reflections	107732
<I/σ(I)>	35.3	2.2
Completeness [%]	98.8	95.5
Redundancy	7	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10% PEG MME 550, 100 mmol L-1 MES, 50 mmol L-1 ZnSO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K