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 |