2IWD
Oxacilloyl-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 | 57.970, 57.970, 147.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.194 |
Rwork | 0.191 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iwc |
RMSD bond length | 0.014 |
RMSD bond angle | 1.566 |
Data reduction software | XDS |
Data scaling software | COMBAT |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.070 | 0.070 |
Number of reflections | 10438 | |
<I/σ(I)> | 21.5 | 4.6 |
Completeness [%] | 99.5 | 97.6 |
Redundancy | 7.1 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 1.8M TRIBASIC AMMONIUM CITRATE AT PH6.5, pH 6.50 |