4UIM
crystal structure of quinine-dependent Fab 314.3
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 | 2012-11-10 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.320, 145.240, 101.490 |
Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
Resolution | 49.367 - 2.700 |
R-factor | 0.2223 |
Rwork | 0.222 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uik |
RMSD bond length | 0.005 |
RMSD bond angle | 1.018 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.260 | |
Number of reflections | 53487 | |
<I/σ(I)> | 0 | 0.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 40% PEG 400, 200 MM MGCL2, AND 100 MM SODIUM CITRATE PH 5.5 |