3UDI
Crystal structure of Acinetobacter baumannii PBP1a in complex with penicillin G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 119.000, 242.680, 49.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.080 - 2.600 |
| R-factor | 0.1905 |
| Rwork | 0.187 |
| R-free | 0.25020 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 41207 | |
| Completeness [%] | 91.6 | 78.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 25% PEGMME 5000, 0.1M MES pH 6.5, 0.1M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
