2JBF
Structure of PBP-A, L158E mutant. Acyl-enzyme complex with penicillin- G.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-14 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.579, 91.525, 145.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.610 - 1.700 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.21800 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.555 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.450 |
Number of reflections | 126686 | |
<I/σ(I)> | 16.7 | 2.7 |
Completeness [%] | 99.3 | 100 |
Redundancy | 3.3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | SEE ENTRY 2J9O, pH 7.5 |