4HJK

U7Ub7 Disulfide variant

Experimental procedure

Experimental method	SINGLE
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-29
Detector	Saturn 944
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	43.197, 43.197, 79.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.918 - 1.784
R-factor	0.1851
Rwork	0.183
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq
RMSD bond length	0.012
RMSD bond angle	1.386
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.197	43.197	1.880
High resolution limit [Å]	1.780	5.640	1.780
Rmerge		0.048	0.383
Total number of observations		3243	9347
Number of reflections	7483
<I/σ(I)>	22.7	14.1	2
Completeness [%]	98.2	99.6	91.4
Redundancy	12.8	10.8	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	2.4M AmSO4 and 0.1M Citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K