3KHF

The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-09-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	48.650, 55.537, 59.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.590 - 1.200
R-factor	0.1572
Rwork	0.156
R-free	0.17080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v90 2vph 2z17
RMSD bond length	0.011
RMSD bond angle	1.444
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0089)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.590	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.087	0.292
Number of reflections	50856
<I/σ(I)>	14.1	5.4
Completeness [%]	99.7	99.2
Redundancy	7.1	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.2 M Lithium Sulphate; 0.1 M Tris pH 9; 35% PEG4K, VAPOR DIFFUSION, SITTING DROP, temperature 293K