9XXU
Crystal structure of the chymotrypsin-cleaved iron-free C-lobe of bovine lactoferrin at 2.82 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-01 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.684, 139.060, 120.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.583 - 2.820 |
| Rwork | 0.211 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.506 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.583 | 2.970 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.155 | 1.497 |
| Rpim | 0.096 | 0.912 |
| Number of reflections | 19057 | 2752 |
| <I/σ(I)> | 8.3 | 1.2 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 6.7 | 7 |
| CC(1/2) | 0.995 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1M Sodium acetate trihydrate (pH 4.6), 0.2M ammonium sulfate, 25% w/v PEG 2000 |
