6MOB

Crystal structure of KIT1 in complex with DP2976 via co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-17
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	80.699, 80.699, 145.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.183
Rwork	0.181
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Beryllium internal model
RMSD bond length	0.015
RMSD bond angle	1.489
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.056	0.490
Number of reflections	43821	4487
<I/σ(I)>	24.7	3.52
Completeness [%]	96.5	98.4
Redundancy	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	12 mg/mL Kit1 protein in 20 mM Tris pH 8.0, 0.25 M sodium chloride, 5 mM imidazole, 5 mM DTT, 1 mM EDTA, crystallant: 2.5 M ammonium nitrate, 0.1 M sodium acetate, pH 4.6, 5-fold molar excess DP2976, Crystal ID 204905d1