3MZE
Structure of penicillin-binding protein 5 from E.coli: cefoxitin acyl-enzyme complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-12-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.420, 50.340, 84.230 |
| Unit cell angles | 90.00, 120.44, 90.00 |
Refinement procedure
| Resolution | 54.000 - 2.100 |
| R-factor | 0.228 |
| Rwork | 0.225 |
| R-free | 0.28100 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nzo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.493 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.095 | 0.371 |
| Number of reflections | 23307 | |
| <I/σ(I)> | 5.2 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 100 MM TRIS PH 7.0, 8 % PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
