7T0K
Crystal structure of S25-2 Fab Unliganded 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.558, 135.497, 73.977 |
| Unit cell angles | 90.00, 94.26, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.2232 |
| Rwork | 0.222 |
| R-free | 0.25450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q9k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.441 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.092 | 0.050 | 0.690 |
| Rmeas | 0.107 | 0.058 | 0.793 |
| Rpim | 0.054 | 0.029 | 0.388 |
| Total number of observations | 502071 | ||
| Number of reflections | 122420 | 6188 | 6073 |
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 99.8 | 98.9 | 100 |
| Redundancy | 4.1 | 3.9 | 4.2 |
| CC(1/2) | 0.996 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M Ammonium iodide, 20% PEG 3350, 5 mM 4-O-methoxymethyl-KdoOMe |
