2X0G

X-RAY STRUCTURE OF A DAP-KINASE CALMODULIN COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	46.413, 101.694, 104.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.410 - 2.200
R-factor	0.204
Rwork	0.201
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jks
RMSD bond length	0.013
RMSD bond angle	1.335
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.930	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.470
Number of reflections	25927
<I/σ(I)>	8.8	2.6
Completeness [%]	100.0	99.9
Redundancy	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2		0.17M AMMONIUM SULFATE, 25% (W/V) PEG 4000, 15% GLYCEROL, pH 7.2