2JE5
STRUCTURAL AND MECHANISTIC BASIS OF PENICILLIN BINDING PROTEIN INHIBITION BY LACTIVICINS
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 |
Collection date | 2006-02-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.540, 99.830, 152.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.520 - 2.600 |
R-factor | 0.262 |
Rwork | 0.260 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bg1 |
RMSD bond length | 0.042 |
RMSD bond angle | 3.252 |
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] | 84.520 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.100 | 0.360 |
Number of reflections | 46529 | |
<I/σ(I)> | 11.46 | 4.9 |
Completeness [%] | 99.2 | 100 |
Redundancy | 4.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 50 MH HEPES 3.2 M SODIUM CHLORIDE 0.8 M AMMONIUM SULFATE, pH 7 |