5HKW

Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	159.116, 106.523, 84.984
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	42.463 - 2.250
R-factor	0.1825
Rwork	0.180
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bum
RMSD bond length	0.013
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.120	45.120	2.300
High resolution limit [Å]	2.250	10.550	2.250
Rmerge	0.058	0.021	0.640
Total number of observations	227494	2209	15071
Number of reflections	67019
<I/σ(I)>	14.5	49.9	2
Completeness [%]	99.7	95.8	99.8
Redundancy	3.4	3.4	3.4
CC(1/2)	0.999	0.999	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 3350, 0.2M sodium citrate dibasic trihyrate