2ZC6
Penicillin-binding protein 1A (PBP 1A) acyl-enzyme complex (tebipenem) from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 185.755, 50.277, 109.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.880 - 2.700 |
| R-factor | 0.23019 |
| Rwork | 0.228 |
| R-free | 0.27099 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c6w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.024 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.880 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.123 | 0.364 |
| Number of reflections | 29074 | |
| <I/σ(I)> | 7.2 | 2.7 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.004-0.006M ZINC SULFATE, 0.05M MES, pH6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
