5DQJ
Structure of unliganded S55-5 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.607, 139.872, 72.076 |
Unit cell angles | 90.00, 110.66, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.610 |
R-factor | 0.1949 |
Rwork | 0.193 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dqd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.356 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.580 | 2.600 |
Rmerge | 0.060 | 0.029 | 0.619 |
Rmeas | 0.071 | 0.033 | 0.721 |
Rpim | 0.037 | 0.017 | 0.367 |
Total number of observations | 111916 | ||
Number of reflections | 30002 | ||
<I/σ(I)> | 17 | ||
Completeness [%] | 99.2 | 99.2 | 100 |
Redundancy | 3.7 | 3.7 | 3.8 |
CC(1/2) | 0.998 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 5% (w/v) glycerol and 15% (w/v) PEG 6000 |