6BYA
Crystal structure of LdBPK_091320 with inhibitor bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97860 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.615, 82.615, 177.235 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.370 - 2.260 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tcm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
| High resolution limit [Å] | 2.260 | 6.130 | 2.260 |
| Rmerge | 0.112 | 0.063 | 0.902 |
| Rmeas | 0.123 | 0.070 | 0.994 |
| Rpim | 0.050 | 0.029 | 0.409 |
| Total number of observations | 166490 | ||
| Number of reflections | 29431 | 1606 | 1452 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 99.4 | 95.6 | 99.6 |
| Redundancy | 5.7 | 5.3 | 5.7 |
| CC(1/2) | 0.995 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 2.64 M NaFormate and 0.1M Tris 8.0 |
