4OA8

X-ray crystal structure of O-methyltransferase from Anaplasma phagocytophilum in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 2 21
Unit cell lengths	73.150, 76.400, 79.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.050 - 2.150
R-factor	0.1872
Rwork	0.185
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oa5
RMSD bond length	0.015
RMSD bond angle	1.597
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.048	0.012	0.491
Number of reflections	24484	301	1798
<I/σ(I)>	27.49	90.81	3.39
Completeness [%]	98.2	88.5	98.1
Redundancy	4.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.4 uL protein @ 20 mg/mL + 0.4 uL JCSG+ well D6 - 0.2 M magnesium chloride, 0.1 M TRIS pH 8.50, 20% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K