5X6P

Crystal structure of Pseudomonas fluorescens KMO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	69.667, 52.371, 136.271
Unit cell angles	90.00, 103.66, 90.00

Refinement procedure

Resolution	33.750 - 1.780
R-factor	0.1812
Rwork	0.179
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fn0
RMSD bond length	0.007
RMSD bond angle	1.115
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.750	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.044	0.366
Rmeas	0.061	0.498
Rpim	0.033	0.279
Number of reflections	91681	4573
<I/σ(I)>	26.17	2.14
Completeness [%]	99.6	99.7
Redundancy	3.4	3.1
CC(1/2)		0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.08 M sodium cacodylate (pH 6.5), 0.16 M calcium acetate, 14.4% polyethylene glycol 8000, and 20% glycerol