3QBR
BakBH3 in complex with sjA
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.991874, 1.009234 |
Spacegroup name | I 2 3 |
Unit cell lengths | 148.625, 148.625, 148.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.148 - 2.601 |
R-factor | 0.1777 |
Rwork | 0.171 |
R-free | 0.23390 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.127 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXCD |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.069 | 0.946 |
Number of reflections | 16915 | |
<I/σ(I)> | 33.4 | 3.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.6 | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 295 | 1M tri-sodium citrate, 0.1M CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |