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 |
