5TOG

Room temperature structure of ubiquitin variant u7ub25.2540

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	273
Detector technology	CCD
Collection date	2014-12-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.954
Spacegroup name	P 31 2 1
Unit cell lengths	43.920, 43.920, 55.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.036 - 1.080
R-factor	0.1042
Rwork	0.103
R-free	0.12110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uqb
RMSD bond length	0.009
RMSD bond angle	1.049
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.11_2556)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.040	38.040	1.110
High resolution limit [Å]	1.080	4.830	1.080
Rmerge	0.047	0.026	0.491
Number of reflections	27011
<I/σ(I)>	28.21	71.29	4.22
Completeness [%]	99.7	95.5	96.8
Redundancy	11.5
CC(1/2)	1.000	0.999	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1ul protein solution at 10 mg/ml (20 mM Tris pH 8.0, 150 mM NaCl), 1ul crystallization solution (0.1 M citric acid pH 4.2, 2.2 M ammonium sulfate)