6OJT

Crystal structure of Sphingomonas paucimobilis TMY1009 LsdA phenylazophenol complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 32 2 1
Unit cell lengths	181.909, 181.909, 96.431
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.004 - 3.000
R-factor	0.2127
Rwork	0.211
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.590
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.5)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.950	90.950	3.150
High resolution limit [Å]	3.000	9.950	3.000
Rmerge	0.126	0.069	0.479
Rmeas	0.140	0.076	0.536
Rpim	0.060	0.031	0.236
Number of reflections	34302	1097	4572
<I/σ(I)>	9.7
Completeness [%]	92.7	99.5	94.4
Redundancy	5.4	5.8	5
CC(1/2)	0.986	0.996	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium fluoride, 17% PEG3350 (v/v), 1 mM phenylazophenol in DMF