4WJ7

CCM2 PTB domain in complex with KRIT1 NPxY/F3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97926
Spacegroup name	P 65 2 2
Unit cell lengths	110.938, 110.938, 315.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.669 - 2.753
R-factor	0.2218
Rwork	0.220
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble search model of PDB IDs: 4JIF 3so6 3g9w 3hqc 3dxe 2ej8 2v76 1j0w 1wvh 2cy4 2dyq 1qqg 1x11 and 1AQC
RMSD bond length	0.004
RMSD bond angle	0.868
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.114
Number of reflections	30768
<I/σ(I)>	23	1.21
Completeness [%]	100.0	100
Redundancy	17.9	19

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% (w/v) PEG 6000, 0.1M HEPES