6OJC
A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 113.15 |
| Detector technology | PIXEL |
| Collection date | 2018-03-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 114.730, 114.730, 46.601 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.241 - 1.940 |
| R-factor | 0.2079 |
| Rwork | 0.206 |
| R-free | 0.22990 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.539 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.370 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.047 | 1.540 |
| Rmeas | 0.053 | 1.720 |
| Rpim | 0.024 | 0.770 |
| Number of reflections | 26388 | 1916 |
| <I/σ(I)> | 25.6 | 1 |
| Completeness [%] | 99.7 | 97.2 |
| Redundancy | 9.4 | 9.3 |
| CC(1/2) | 0.990 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 2.0M Ammonium sulfate, 0.05M BisTris pH 5.0 |
