5M1C

Crystal structure of N-terminally tagged apo-UbiD from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-12
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92818
Spacegroup name	P 43 21 2
Unit cell lengths	196.435, 196.435, 108.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	98.410 - 2.750
R-factor	0.21499
Rwork	0.213
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2idb
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	xia2
Data scaling software	xia2
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.410	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.118	0.936
Number of reflections	52741
<I/σ(I)>	12.9	2.5
Completeness [%]	100.0	100
Redundancy	13.1	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 mM SPG pH 8, 25% w/v PEG 1500