3B2K
Iodide derivative of human LFABP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.352, 57.070, 74.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.730 |
| R-factor | 0.215 |
| Rwork | 0.209 |
| R-free | 0.27480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.094 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 3.730 | 1.730 |
| Rmerge | 0.082 | 0.049 | 0.648 |
| Number of reflections | 13416 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 94.1 | 97.8 | 86.5 |
| Redundancy | 7.1 | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 8 | 293 | 30% PEG MME 2000, 0.15M KBr, pH 8.0, hanging drop, temperature 293K |
