5E75
Crystal structure of Bacova_02651
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.800, 81.410, 57.680 |
| Unit cell angles | 90.00, 107.85, 90.00 |
Refinement procedure
| Resolution | 21.480 - 1.360 |
| R-factor | 0.1473 |
| Rwork | 0.147 |
| R-free | 0.17380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jys |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.480 | 1.409 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.048 | 0.451 |
| Number of reflections | 99136 | |
| <I/σ(I)> | 15.6 | 2.29 |
| Completeness [%] | 99.7 | 98.82 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Molecular Dimensions Morpheus screen well A1 |
