2JCH
Structural and mechanistic basis of penicillin binding protein inhibition by lactivicins
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-12 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.840, 143.580, 97.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.130 - 2.400 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bg1 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.398 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.900 | 2.600 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.090 | 0.430 |
Number of reflections | 29294 | |
<I/σ(I)> | 12.9 | 2.9 |
Completeness [%] | 99.3 | 100 |
Redundancy | 5.2 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 50 MM HEPES PH 7 3.2 M NACL 0.8 M AMMONIUM SULFATE |