3B2I
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 | 28.968, 57.895, 75.025 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.860 |
| Rwork | 0.203 |
| R-free | 0.25820 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.167 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 4.010 | 1.860 |
| Rmerge | 0.078 | 0.053 | 0.476 |
| Number of reflections | 10893 | ||
| <I/σ(I)> | 11.7 | ||
| Completeness [%] | 99.2 | 99.6 | 92.1 |
| Redundancy | 13.4 | 12.5 | 11.3 |
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 |
