2YK1
Structure of human anti-nicotine Fab fragment in complex with nicotine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-26 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.110, 78.870, 75.470 |
| Unit cell angles | 90.00, 116.55, 90.00 |
Refinement procedure
| Resolution | 27.350 - 1.850 |
| R-factor | 0.22648 |
| Rwork | 0.224 |
| R-free | 0.26434 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bos |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.199 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.220 |
| Number of reflections | 34228 | |
| <I/σ(I)> | 8.4 | 1.8 |
| Completeness [%] | 95.0 | 91.5 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | SITTING DROP, 5% PEG 3000, 0.1 M MES PH 6.0, 30% (V/V) PEG 200, 10 MG/ML PROTEIN, 20 MM NICOTINE. |
