7T0G
Crystal structure of S25-39 Fab Unliganded 1
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 | 52.610, 61.218, 63.573 |
Unit cell angles | 90.00, 98.65, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.530 |
R-factor | 0.1778 |
Rwork | 0.176 |
R-free | 0.21170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3okd |
RMSD bond length | 0.023 |
RMSD bond angle | 2.179 |
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] | 50.000 | 50.000 | 1.560 |
High resolution limit [Å] | 1.530 | 4.150 | 1.530 |
Rmerge | 0.109 | 0.044 | 0.612 |
Rmeas | 0.118 | 0.048 | 0.695 |
Rpim | 0.044 | 0.018 | 0.323 |
Total number of observations | 393256 | ||
Number of reflections | 59940 | 3104 | 2608 |
<I/σ(I)> | 9.3 | ||
Completeness [%] | 99.3 | 99.4 | 86.4 |
Redundancy | 6.6 | 6.9 | 4.1 |
CC(1/2) | 0.997 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M BIS-TRIS pH 6.5, 20% PEG MME 2000, 5 mM 4-O-methoxymethyl-KdoOMe |