6JKM

Crystal structure of BubR1 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-02
Detector	RAYONIX MX225-HS
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	59.333, 61.979, 96.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.372 - 1.950
R-factor	0.1807
Rwork	0.178
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r8q
RMSD bond length	0.008
RMSD bond angle	1.095
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.104	0.048	0.576
Number of reflections	26399	1445	1307
<I/σ(I)>	8.4
Completeness [%]	99.9	98.6	99.5
Redundancy	5.3	4.8	4.7

Crystallization Conditions

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