4F1O

Crystal Structure of the L1180T mutant Roco4 Kinase Domain from D. discoideum bound to AppCp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-03-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	P 43 21 2
Unit cell lengths	42.323, 42.323, 332.678
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.980 - 2.300
R-factor	0.25228
Rwork	0.250
R-free	0.29645
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dtc
RMSD bond length	0.006
RMSD bond angle	0.958
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0093)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.000		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.219	0.049	0.923
Number of reflections	14604
<I/σ(I)>	12.09	30.9	3.4
Completeness [%]	100.0	99.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.1 M Bis- Tris, 0.2 M Na/K Tartrate; 11% PEG 3350, pH 8.5, vapor diffusion, hanging drop, temperature 277K