7DNB
Crystal structure of PhoCl barrel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-06 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.400, 119.640, 65.260 |
| Unit cell angles | 90.00, 107.66, 90.00 |
Refinement procedure
| Resolution | 43.110 - 2.810 |
| R-factor | 0.2808 |
| Rwork | 0.275 |
| R-free | 0.33540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hqk |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.110 | 2.920 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Number of reflections | 16400 | 2688 |
| <I/σ(I)> | 8.54 | |
| Completeness [%] | 92.9 | |
| Redundancy | 2.7 | |
| CC(1/2) | 0.997 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.056 M Sodium phosphate monobasic monohydrate, 1.344 M Potassium phosphate dibasic, pH 8.2 |
