7T0J
Crystal structure of S25-2 Fab Unliganded 3
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 | 73.733, 135.329, 92.667 |
Unit cell angles | 90.00, 94.35, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.150 |
R-factor | 0.2325 |
Rwork | 0.230 |
R-free | 0.28140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q9k |
RMSD bond length | 0.011 |
RMSD bond angle | 1.523 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.083 | 0.037 | 0.634 |
Rmeas | 0.096 | 0.043 | 0.733 |
Rpim | 0.048 | 0.021 | 0.364 |
Total number of observations | 408414 | ||
Number of reflections | 98548 | 5025 | 4911 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.8 | 99.7 | 100 |
Redundancy | 4.1 | 4 | 4.1 |
CC(1/2) | 0.998 | 0.793 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M Ammonium fluoride, 20% PEG 3350, 5 mM 4-O-methoxymethyl-KdoOMe |