3HPV

Crystal Structure Analysis of the 2,3-dioxygenase LapB from Pseudomonas sp. KL28

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1.23983
Spacegroup name	P 21 21 21
Unit cell lengths	94.900, 97.000, 133.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.710 - 2.300
Rwork	0.201
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpy
RMSD bond length	0.009
RMSD bond angle	1.611
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.119	0.652
Number of reflections	46741
<I/σ(I)>	23.294	3.6
Completeness [%]	99.9	99.4
Redundancy	13	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2M ammonium fluoride, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 295K