6C5J
S25-23 Fab in complex with Chlamydiaceae LPS (Crystal form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.233, 45.453, 75.671 |
Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.290 |
R-factor | 0.1955 |
Rwork | 0.193 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m7j |
RMSD bond length | 0.009 |
RMSD bond angle | 1.447 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.370 |
High resolution limit [Å] | 2.290 | 4.920 | 2.290 |
Rmerge | 0.069 | 0.051 | 0.519 |
Number of reflections | 16502 | 1546 | 1700 |
<I/σ(I)> | 12.9 | ||
Completeness [%] | 93.8 | 84.5 | 96.7 |
Redundancy | 3.4 | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.15 | 0.1 M MES, 20% [w/v] polyethylene glycol [PEG] 10000 |