4ZHF
Siderocalin-mediated recognition and cellular uptake of actinides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.676, 117.775, 121.203 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.450 |
| R-factor | 0.2039 |
| Rwork | 0.203 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zhg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.8.0049) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.135 | 0.077 | 0.463 |
| Rmeas | 0.150 | 0.085 | 0.513 |
| Rpim | 0.064 | 0.035 | 0.216 |
| Total number of observations | 277210 | ||
| Number of reflections | 56438 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 98.8 | 93.3 | 100 |
| Redundancy | 4.9 | 4.9 | 5 |
| CC(1/2) | 0.995 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 298 | NaCl, Li2SO4, Acetate, Ammonium Sulfate |
