7T0F
Crystal structure of S25-39 Fab in complex with 4-MeO-KdoOAll
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-02-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.111, 63.624, 61.636 |
Unit cell angles | 90.00, 97.40, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.2169 |
Rwork | 0.214 |
R-free | 0.26140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3okd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.495 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.071 | 0.046 | 0.398 |
Rmeas | 0.083 | 0.053 | 0.472 |
Rpim | 0.042 | 0.027 | 0.248 |
Total number of observations | 95425 | ||
Number of reflections | 27284 | 2797 | 2600 |
<I/σ(I)> | 10.9 | ||
Completeness [%] | 99.1 | 98.7 | 95.1 |
Redundancy | 3.5 | 3.5 | 3 |
CC(1/2) | 0.992 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.1 M HEPES pH 7.0, 30% Jeffamine ED-2001, 5 mM 4-O-methyl-KdoOAll |