6KXK
BON1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.284, 118.716, 222.253 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 48.210 - 2.500 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.533 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.210 | 48.160 | 2.540 |
| High resolution limit [Å] | 2.500 | 13.690 | 2.500 |
| Rmerge | 0.116 | 0.029 | 0.244 |
| Rmeas | 0.134 | 0.033 | 0.280 |
| Rpim | 0.065 | 0.017 | 0.136 |
| Total number of observations | 5063 | 44256 | |
| Number of reflections | 215443 | 1370 | 10744 |
| <I/σ(I)> | 8.2 | 33.3 | 0.7 |
| Completeness [%] | 98.2 | 96.1 | 98.9 |
| Redundancy | 4 | 3.7 | 4.1 |
| CC(1/2) | 0.997 | 0.999 | 0.249 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.05 M MES (PH 7.0), 0.05 M HEPES (PH 7.5), 7% PEG 8000 |
