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 |