4PIG

Crystal structure of the ubiquitin K11S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.700, 61.820, 91.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.760 - 1.952
R-factor	0.1714
Rwork	0.169
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7p
RMSD bond length	0.007
RMSD bond angle	1.080
Data reduction software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000		2.000
High resolution limit [Å]	1.950	8.730	1.950
Rmerge	0.087	0.051	0.212
Rmeas	0.092	0.055	0.233
Total number of observations	179401
Number of reflections	20225	249	1388
<I/σ(I)>	21.98	32.48	9.11
Completeness [%]	99.4	88	94.2
Redundancy	8.9		5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.2M CaCl2, 0.1 M HEPES, 30% PEG 4000