3ONS

Crystal structure of Human Ubiquitin in a new crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 32 2 1
Unit cell lengths	48.410, 48.410, 61.970
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.920 - 1.800
R-factor	0.183
Rwork	0.183
R-free	0.21100
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.071	0.311
Number of reflections	8078
<I/σ(I)>	17.7839	5.066
Completeness [%]	98.8	99.7
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	277	2 ul of a 10 mg/ml protein solution was mixed with 2 ul of the reservoir solution (50-56 % MPD and 8-18 % (v/v) glycerol solution in 27mM sodium citrate (pH 4.0-4.2) buffer), VAPOR DIFFUSION, HANGING DROP, temperature 277K