9AUE
Crystal structure of the holo form of GenB2 in complex with PMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.977180 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.359, 103.752, 104.117 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.430 - 1.460 |
| R-factor | 0.1527 |
| Rwork | 0.151 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.861 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1.2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.430 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.145 | 2.963 |
| Rmeas | 0.151 | 3.085 |
| Rpim | 0.041 | 0.843 |
| Total number of observations | 43225 | |
| Number of reflections | 71076 | 3429 |
| <I/σ(I)> | 10.8 | 1 |
| Completeness [%] | 99.0 | |
| Redundancy | 13.4 | 12.6 |
| CC(1/2) | 0.999 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M PIPES, pH 6.0, 1 M NaCl, 29% PEG 4000 and 30% 6-aminohexanoic acid. |
