4CTD
X-ray structure of an engineered OmpG loop6-deletion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-01 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 |
Unit cell lengths | 59.940, 60.060, 59.760 |
Unit cell angles | 70.45, 95.24, 70.58 |
Refinement procedure
Resolution | 44.210 - 3.200 |
R-factor | 0.2409 |
Rwork | 0.238 |
R-free | 0.28890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wvp |
RMSD bond length | 0.015 |
RMSD bond angle | 1.311 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.210 | 3.370 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.150 | 0.540 |
Number of reflections | 11053 | |
<I/σ(I)> | 5.3 | 2 |
Completeness [%] | 92.8 | 93.9 |
Redundancy | 1.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.1 M TRIS/HCL, PH 8.5, 20% (V/V) ETOH; 8 MG/ML OMPG IN 20 MM TRIS/HCL, PH 8.0, 250 MM NACL, 10% (V/V) GLYCEROL, 0.4% (V/V) C8E4 |