6OJR

Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	P 32 2 1
Unit cell lengths	181.364, 181.364, 94.983
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.266 - 2.300
R-factor	0.1827
Rwork	0.182
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2biw
RMSD bond length	0.002
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.270	39.270	2.350
High resolution limit [Å]	2.300	11.730	2.300
Rmerge	0.145	0.024	1.465
Rmeas	0.151	0.025	1.525
Rpim	0.041	0.007	0.421
Number of reflections	155094	650	4451
<I/σ(I)>	19
Completeness [%]	99.9	97.1	98.4
Redundancy	13.4	12.3	13
CC(1/2)	0.998	1.000	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M tri-potassium citrate, 20% PEG3350 (v/v)