5DYH
Ti(IV) bound human serum transferrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-22 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.275, 102.016, 197.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.394 - 2.682 |
| R-factor | 0.2036 |
| Rwork | 0.202 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hau |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.670 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.760 |
| High resolution limit [Å] | 2.660 | 5.730 | 2.660 |
| Rmerge | 0.094 | 0.063 | 0.782 |
| Rmeas | 0.104 | 0.069 | 0.859 |
| Rpim | 0.043 | 0.029 | 0.350 |
| Total number of observations | 288832 | ||
| Number of reflections | 49580 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 98.1 | 99 | 90.6 |
| Redundancy | 5.8 | 5.7 | 5.7 |
| CC(1/2) | 0.996 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 296 | 10-13% PEG3350 100 mM Ammonium Citrate buffer |
