8IHA
Polyketone cyclase Rv2186c in Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2021-06-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.477, 28.254, 86.779 |
| Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
| Resolution | 27.290 - 1.560 |
| R-factor | 0.19719 |
| Rwork | 0.195 |
| R-free | 0.23069 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.899 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.068 | 0.297 |
| Number of reflections | 69128 | 712 |
| <I/σ(I)> | 27.7 | |
| Completeness [%] | 92.7 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 15%PEG4000 0.2M ammonium sulphate |
