4X1D
Ytterbium-bound human serum transferrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.502, 136.863, 107.843 |
| Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.23070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.391 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
| Rmerge | 0.090 | 0.038 | 0.763 |
| Rmeas | 0.103 | 0.043 | 0.876 |
| Rpim | 0.050 | 0.021 | 0.427 |
| Total number of observations | 235196 | ||
| Number of reflections | 56472 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.7 | 98.4 | 99.9 |
| Redundancy | 4.2 | 4.2 | 4.1 |
| CC(1/2) | 0.995 | 0.775 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1M PIPES, 17% PEG3350, 18% Glycerol |
