6DC6

Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	108
Detector technology	CCD
Collection date	2015-12-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	104.999, 70.438, 188.851
Unit cell angles	90.00, 95.19, 90.00

Refinement procedure

Resolution	41.702 - 3.140
R-factor	0.2142
Rwork	0.212
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cmm
RMSD bond length	0.003
RMSD bond angle	0.554
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.150	6.780	3.150
Rmerge	0.139	0.080	0.459
Rmeas	0.165	0.095	0.566
Rpim	0.088	0.049	0.327
Total number of observations	133897
Number of reflections	46012	4637	4503
<I/σ(I)>	5.7
Completeness [%]	94.6	91.7	93.5
Redundancy	2.9	3.3	2.5
CC(1/2)		0.986	0.592

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	285	0.1 M MgCl2, 0.2 M Tris HCl pH 8.0, 20% PEG 4000