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 |