6FBN

Human Methionine Adenosyltransferase II mutant (Q113A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 2 21 21
Unit cell lengths	63.634, 103.934, 109.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.930 - 2.700
R-factor	0.1794
Rwork	0.179
R-free	0.19022
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a1i
RMSD bond length	0.012
RMSD bond angle	1.548
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.930	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.143	0.776
Rmeas	0.173	0.937
Rpim	0.096	0.942
Number of reflections	20580	2705
<I/σ(I)>	10.6	2.1
Completeness [%]	99.7	100
Redundancy	5.6	5.9
CC(1/2)	0.994	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	30% PEG600 0.1M HEPES pH7.0