4KTV

Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-07
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	72.090, 116.570, 299.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	108.870 - 3.300
R-factor	0.18
Rwork	0.176
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2PO2 AND 2YDY
RMSD bond length	0.008
RMSD bond angle	1.265
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	150.035	3.370
High resolution limit [Å]	3.200	3.200
Number of reflections	42851
Completeness [%]	99.9	100
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	298	0.1M MES/Imidazole pH 6.5 0.1M Carboxylic acids 20% Ethylene glycol 10% PEG 8K, VAPOR DIFFUSION, HANGING DROP, temperature 298K