4UIK
crystal structure of quinine-dependent Fab 314.1
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 | 2009-11-14 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.750, 73.750, 190.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.147 - 2.000 |
R-factor | 0.1884 |
Rwork | 0.188 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FAB FRAGMENT FROM PDB ENTRY 3T3P |
RMSD bond length | 0.007 |
RMSD bond angle | 1.149 |
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 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.170 |
Number of reflections | 40094 | |
<I/σ(I)> | 18.2 | 8.7 |
Completeness [%] | 96.6 | 80.4 |
Redundancy | 5.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 15% PEG 6000, 10 MM MGCL2, AND 50 MM KCL, pH 7.5 |