4ZHG
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 | 107.733, 117.693, 121.225 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.1961 |
| Rwork | 0.195 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lm6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.188 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.114 | 0.060 | 0.348 |
| Rmeas | 0.127 | 0.068 | 0.401 |
| Rpim | 0.056 | 0.031 | 0.196 |
| Total number of observations | 467332 | ||
| Number of reflections | 96900 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.1 | 99.8 | 81.7 |
| Redundancy | 4.8 | 4.6 | 3.6 |
| CC(1/2) | 0.995 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 298 | NaCl, Li2SO4, Acetate, Ammonium Sulfate |
