2J8Y
Structure of PBP-A acyl-enzyme complex with penicillin-G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.692, 91.873, 147.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.900 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24500 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.520 |
| Number of reflections | 91292 | |
| <I/σ(I)> | 17 | 2.6 |
| Completeness [%] | 96.7 | 88.2 |
| Redundancy | 3.34 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | HANGING DROP. PROTEIN 7 MG/ML. RESERVOIR 500 UL HEPES 0.1M PH 7.5, AMMONIUM ACETATE 0.2M, PEG-3350 25% AND NAN3 0.02% (W/V). DROP 1 UL PROTEIN AND 1 UL RESERVOIR |
