9AZJ
Structure of ubiquitinated NEMO UBAN K285C-Ub G76C bound to HOIP NZF1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.828, 101.447, 144.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.720 - 3.320 |
R-factor | 0.2431 |
Rwork | 0.241 |
R-free | 0.28470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.443 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.810 | 3.590 |
High resolution limit [Å] | 3.320 | 3.320 |
Rmerge | 0.104 | 1.077 |
Rmeas | 0.115 | 1.180 |
Rpim | 0.048 | 0.475 |
Total number of observations | 84793 | 17542 |
Number of reflections | 15095 | 3039 |
<I/σ(I)> | 9.1 | 2 |
Completeness [%] | 99.8 | |
Redundancy | 5.6 | 5.8 |
CC(1/2) | 0.990 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.6 | 293 | 150nl protein + 50 nl mother liquor: 0.1 M Tris/Bicine pH 8.6, 24.2% PEG 500 MME, 8% PEG 20K, 0.03 M each of NaI, NaBr, and NaF. Cryoprotected in mother liquor containing 20% glycerol |