1Z6F
Crystal structure of penicillin-binding protein 5 from E. coli in complex with a boronic acid inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.760, 50.250, 84.310 |
| Unit cell angles | 90.00, 120.20, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.24000 |
| Structure solution method | SIMPLE REFINEMENT |
| Starting model (for MR) | 1nzo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.355 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.065 | 0.466 |
| Number of reflections | 52064 | |
| <I/σ(I)> | 24.4 | 2.4 |
| Completeness [%] | 98.7 | 99.9 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 100mM Tris, 8% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
