1PO7

HIGH RESOLUTION STRUCTURE OF E28A MUTANT BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00000
Spacegroup name	I 2 2 2
Unit cell lengths	81.127, 95.543, 137.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.200
Rwork	0.113
R-free	0.14250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bfd
RMSD bond length	0.014
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.059	0.247
Number of reflections	145746
<I/σ(I)>	14.5
Completeness [%]	87.7	66.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K