4GCS
Crystal Structure of E. coli OmpF porin in complex with Ertapenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 3 |
Unit cell lengths | 116.810, 116.810, 52.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.530 - 1.870 |
R-factor | 0.19319 |
Rwork | 0.191 |
R-free | 0.22732 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.177 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER (v2.1) |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.870 |
Rmerge | 0.085 |
Number of reflections | 64277 |
<I/σ(I)> | 5.4 |
Completeness [%] | 97.4 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50% PEG 200, 0.1 M sodium cacodylate, 0.2 M magnesium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |