4UIL
crystal structure of quinine-dependent Fab 314.1 with quinine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2009-08-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.310, 62.310, 232.719 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.579 - 2.853 |
| R-factor | 0.2747 |
| Rwork | 0.269 |
| R-free | 0.33520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uik |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.744 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.920 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.060 | 0.850 |
| Number of reflections | 10563 | |
| <I/σ(I)> | 17.2 | 2.6 |
| Completeness [%] | 92.6 | 100 |
| Redundancy | 5.5 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 20% PEG 4000, 150 MM AMMONIUM SULFATE, AND 100 MM HEPES PH 7.0 |
