4CZU

Crystal structure of the kinase domain of CIPK23 T190D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-17
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	72.700, 91.730, 207.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.968 - 1.900
R-factor	0.194
Rwork	0.192
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h4j
RMSD bond length	0.008
RMSD bond angle	1.127
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]	49.970	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.110	0.980
Number of reflections	110291
<I/σ(I)>	12.8	2.3
Completeness [%]	100.0	100
Redundancy	8.3	8.3

Crystallization Conditions

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