4X1B
Human serum transferrin with ferric ion bound at the C-lobe only
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 | 2012-11-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 137.056, 156.649, 107.162 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.450 |
| R-factor | 0.1918 |
| Rwork | 0.190 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qyt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.188 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.450 | 5.280 | 2.450 |
| Rmerge | 0.075 | 0.037 | 0.737 |
| Rmeas | 0.081 | 0.040 | 0.792 |
| Rpim | 0.030 | 0.015 | 0.289 |
| Total number of observations | 315885 | ||
| Number of reflections | 42808 | ||
| <I/σ(I)> | 10.4 | ||
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 7.4 | 7.2 | 7.5 |
| CC(1/2) | 0.997 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1M PIPES, 17% PEG3350, 18% Glycerol |
