6JKK

Crystal structure of BubR1 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-09
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	59.221, 61.617, 94.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.689 - 1.850
R-factor	0.1894
Rwork	0.188
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r8q
RMSD bond length	0.005
RMSD bond angle	0.955
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.850	4.850	1.850
Rmerge	0.071	0.041	0.610
Number of reflections	29503	1821	1336
<I/σ(I)>	9.6
Completeness [%]	98.0	99.1	82
Redundancy	6.5	6.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	4% PEG 3000, 0.1M Bis-tris propane pH 7.5