4NDN

Structural insights of MAT enzymes: MATa2b complexed with SAM and PPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	72.140, 122.178, 298.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 2.340
R-factor	0.2126
Rwork	0.211
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.340	5.060	2.350
Rmerge	0.101	0.045	0.704
Number of reflections	109240
<I/σ(I)>	6.9
Completeness [%]	98.0	99.6	83.2
Redundancy	7.5	7.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	100mM MES/Imidazole buffer 10% Ethylene glycol 20% PEG 8K, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K