6A8L
Crystal structure of nicotinamidase/ pyrazinamidase PncA from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9826 |
| Spacegroup name | P 62 |
| Unit cell lengths | 90.037, 90.037, 86.181 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.910 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.153 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o91 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.084 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | |
| Number of reflections | 31118 | |
| <I/σ(I)> | 32.46 | 2.91 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 5.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | 1.39 M sodium citrate,0.1 M HEPES (PH 7.5) |
