7M2K

CDC34A-Ubiquitin-2ab inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97919
Spacegroup name	P 1
Unit cell lengths	55.800, 72.000, 76.500
Unit cell angles	70.14, 79.12, 80.42

Refinement procedure

Resolution	67.300 - 2.470
R-factor	0.2216
Rwork	0.219
R-free	0.27580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ob4
Data reduction software	xia2 (0.5.436-g557f8872-dials-1.7)
Data scaling software	XSCALE (20171111)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.300	67.300	2.530
High resolution limit [Å]	2.470	11.050	2.470
Rmerge	0.049	0.023	0.839
Rmeas	0.066	0.031	1.135
Rpim	0.044	0.021	0.760
Total number of observations	72984	809	5536
Number of reflections	34543	380	2606
<I/σ(I)>	8.1	22.4	1.1
Completeness [%]	88.1	86.6	89
Redundancy	2.1	2.1	2.1
CC(1/2)	0.998	0.997	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES pH 7.0 29% PEG3350 40 mM DL-Malic acid 5 mM DTT