3MLA
BaNadD in complex with inhibitor 1_02
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 198 |
| Detector technology | CCD |
| Collection date | 2008-03-05 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.586, 97.498, 44.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.709 - 1.750 |
| R-factor | 0.1914 |
| Rwork | 0.189 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hfj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.057 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.750 |
| Number of reflections | 39335 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.2 M postassium formate 20% PEG3350, pH 7.5, VAPOR DIFFUSION, temperature 298K |
