4UIN
crystal structure of quinine-dependent Fab 314.3 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] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.180, 55.460, 72.160 |
| Unit cell angles | 90.00, 98.98, 90.00 |
Refinement procedure
| Resolution | 43.771 - 2.500 |
| R-factor | 0.2065 |
| Rwork | 0.203 |
| R-free | 0.25440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uik |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.917 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.760 |
| Number of reflections | 14747 | |
| <I/σ(I)> | 9.6 | 1.5 |
| Completeness [%] | 99.3 | 95.6 |
| Redundancy | 3.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% PEG 1500, PH 7.5 |
