4CZT

Crystal structure of the kinase domain of CIPK23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-26
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	72.250, 91.460, 207.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.262 - 2.300
R-factor	0.1789
Rwork	0.176
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h4j
RMSD bond length	0.009
RMSD bond angle	1.122
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.300	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.180	1.150
Number of reflections	61816
<I/σ(I)>	12.8	3
Completeness [%]	99.0	99
Redundancy	13.2	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH			16 MM CHAPS 0.1 M HEPES PH 7.5, 3.5 M AMMONIUM SULFATE AS PRECIPITANT MIXED WITH THE PROTEIN AT 14 MG/ML USING MICROBATCH METHOD.