6NXL

Ubiquitin binding variants

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	62.359, 62.359, 168.121
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.596 - 2.803
R-factor	0.216
Rwork	0.213
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s1z
RMSD bond length	0.009
RMSD bond angle	1.083
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.084	0.237
Rmeas	0.099	0.293
Rpim	0.051	0.169
Number of reflections	15140	529
<I/σ(I)>	14.8	2
Completeness [%]	96.1	67
Redundancy	3.5	2.1
CC(1/2)		0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.1M Sodium Acetate pH 4.6, 0.02 M Calcium Chloride, 30% MPD, 0.1M Potassium Sodium Tartrate Tetrahydrate and 56mg/mL protein co-sized Ubv and APC2 WHB (735-C)