3EYC
New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-05 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.907, 34.166, 143.481 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| Rwork | 0.228 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xki residues 14 to 24 38 to 55 64 to 104 and 110 to 150 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.299 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.061 | 0.236 |
| Number of reflections | 19625 | 1852 |
| <I/σ(I)> | 16 | |
| Completeness [%] | 99.6 | |
| Redundancy | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 27% PEG3350, 0.8% 1.4-Butanediol, 200mM NaCl, 100mM Tris/HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
