4JD5

Crystal Structure of Benzoylformate Decarboxylase Mutant L403E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	I 2 2 2
Unit cell lengths	81.550, 95.790, 137.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.365 - 1.330
R-factor	0.1347
Rwork	0.134
R-free	0.15180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.526
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.7.3_928)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall
Low resolution limit [Å]	24.730
High resolution limit [Å]	1.330
Rmerge	0.089
Number of reflections	122065
Completeness [%]	99.5
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100 MM TRIS PH 8.5, 22% V/V PEG 400, 150 MM CACL2, 0.5% V/V MPD, vapor diffusion, hanging drop, temperature 298K