5TL4

Crystal structure of Sphingomonas paucimobilis aryl O-demethylase LigM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	112.837, 126.184, 155.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.009 - 1.751
R-factor	0.1701
Rwork	0.170
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11rc2_2531: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.010	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.175
Number of reflections	222501
<I/σ(I)>	14.33	1.23
Completeness [%]	99.8	97.8
Redundancy	7.1	5.3
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M ammonium tartrate dibasic, 20% PEG3350