9KZL
Crystal structure of the functional unit (HtH1-h) of hemocyanin from Haliotis discus hannai,Containing a met site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 283 |
| Detector technology | PIXEL |
| Collection date | 2023-11-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.573, 117.675, 97.588 |
| Unit cell angles | 90.00, 96.64, 90.00 |
Refinement procedure
| Resolution | 28.600 - 2.000 |
| R-factor | 0.169 |
| Rwork | 0.167 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qjo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.876 |
| Data reduction software | HKL-3000 (7.21) |
| Data scaling software | HKL-3000 (7.21) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.600 | 2.020 |
| High resolution limit [Å] | 1.999 | 2.000 |
| Number of reflections | 126200 | 3720 |
| <I/σ(I)> | 4.3 | 14.9 |
| Completeness [%] | 98.9 | 92.58 |
| Redundancy | 3.5 | |
| CC(1/2) | 0.980 | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293.15 | PEG 1000,Ethanol,Phosphate |
