3TKA

crystal structure and solution saxs of methyltransferase rsmh from E.coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-10
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	85.660, 85.660, 107.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.111 - 2.250
R-factor	0.1868
Rwork	0.184
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wg8
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.065	0.332
Number of reflections	18379
<I/σ(I)>		9.59
Completeness [%]	100.0	100
Redundancy	15.3	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.0M ammonium sulfate, 0.1M Hepes, pH 6.5, 0.5% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K