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) |