6O9V
KirBac3.1 mutant at a resolution of 3.1 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 83.298, 114.683, 89.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.728 - 3.094 |
| R-factor | 0.2503 |
| Rwork | 0.248 |
| R-free | 0.29360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xl4 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.706 |
| Data reduction software | XDS |
| Data scaling software | TRUNCATE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.270 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.220 | |
| Rmeas | 2.170 | |
| Number of reflections | 17691 | 2785 |
| <I/σ(I)> | 12.6 | 1.1 |
| Completeness [%] | 99.0 | |
| Redundancy | 11.5 | |
| CC(1/2) | 0.999 | 0.470 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 292 | 13% (w/v) PEG MME 2000, 0.1 M TRIS HCl, pH 7.1, 0.1 M CaCl2 and 1% (w/v) LDAO |
