5I2H

Crystal structure of O-methyltransferase family 2 protein Plim_1147 from Planctomyces limnophilus DSM 3776 complex with Apigenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	66.516, 83.192, 119.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.893 - 1.551
R-factor	0.1556
Rwork	0.155
R-free	0.19740
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.124
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.056	0.041	0.605
Rmeas	0.060	0.044	0.662
Rpim	0.022	0.016	0.264
Total number of observations	741546
Number of reflections	95895
<I/σ(I)>	15.7
Completeness [%]	99.5	98.1	94.6
Redundancy	7.7	7.7	5.9
CC(1/2)		0.998	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	289	magnesium formate, PEG3350