2IWC
Benzylpenicilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.400, 58.400, 148.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iwb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.328 |
Data reduction software | XDS |
Data scaling software | COMBAT |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.800 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.610 |
Number of reflections | 15723 | |
<I/σ(I)> | 17 | 3.6 |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 7.6 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 1.8M TRIBASIC AMMONIUM CITRATE AT PH6.5, pH 6.50 |