3DBH
Structural Dissection of a Gating Mechanism Preventing Misactivation of Ubiquitin by NEDD8's E1 (APPBP1-UBA3Arg190Ala-NEDD8Ala72Arg)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Detector technology | CCD |
Collection date | 2006-10-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 135.647, 198.100, 210.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.850 |
R-factor | 0.226 |
Rwork | 0.224 |
R-free | 0.27400 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 1r4m |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.110 | 0.393 |
Number of reflections | 127293 | |
<I/σ(I)> | 14.4 | 1.5 |
Completeness [%] | 96.0 | 81.9 |
Redundancy | 6.7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M Tris, 0.4 M ammonium acetate, 9-10% PEG 10K, 5 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |