4JUC

Crystal Structure of the Ser26Met mutant of Benzoylformate Decarboxylase from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	70.875, 163.829, 175.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.404 - 2.303
R-factor	0.1969
Rwork	0.196
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB EBTRY 1BFD
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.404	2.380
High resolution limit [Å]	2.303	2.303
Rmerge	0.226	0.738
Number of reflections	81829
<I/σ(I)>	10.1	2
Completeness [%]	95.6	99.6
Redundancy	12.4	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	22% PEG400, 150 mM calcium chloride, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K