3BBH
M. jannaschii Nep1 complexed with Sinefungin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-06 |
Detector | NOIR-1 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.599, 89.560, 94.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.671 - 2.250 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bbd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.019 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 34563 | |
<I/σ(I)> | 15.2 | 2.8 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 7 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10 | 277 | 100 mM glycine, 20-24% polyethylene glycol 400, 30% glycerol and 0-200 mM trimethylamine-N-oxide, pH 10.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |