7BQP
The structure of HpiI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 97.165, 146.449, 89.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.810 - 1.330 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bqj |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.393 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.350 |
| High resolution limit [Å] | 1.330 | 3.610 | 1.330 |
| Rmerge | 0.084 | 0.034 | 1.042 |
| Rmeas | 0.088 | 0.036 | 1.090 |
| Rpim | 0.024 | 0.010 | 0.315 |
| Total number of observations | 1905010 | ||
| Number of reflections | 144677 | 7686 | 7018 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 97.9 | 99.3 | 95.9 |
| Redundancy | 13.2 | 12.8 | 11.5 |
| CC(1/2) | 0.999 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 15% PEG 6000, 5% MPD, 0.1M MES pH 6.5 |
