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 |
