7BQO
The structure of HpiI in complex with its substrate analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97855 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 97.113, 145.917, 90.061 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.721 - 1.530 |
| R-factor | 0.1668 |
| Rwork | 0.166 |
| R-free | 0.18240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bqj |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.512 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.721 | 19.720 | 1.560 |
| High resolution limit [Å] | 1.530 | 8.380 | 1.530 |
| Rmerge | 0.080 | 0.040 | 1.077 |
| Rmeas | 0.083 | 0.042 | 1.125 |
| Rpim | 0.023 | 0.012 | 0.321 |
| Total number of observations | 7932 | 57721 | |
| Number of reflections | 96254 | 610 | 4709 |
| <I/σ(I)> | 20.9 | 56.2 | 2.6 |
| Completeness [%] | 99.9 | 92.3 | 99.9 |
| Redundancy | 13.2 | 13 | 12.3 |
| CC(1/2) | 0.999 | 0.999 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 16% PEG8000, 40mM potassium phosphate monobasic, 20% glycerol |
