3MZD
Structure of penicillin-binding protein 5 from E. coli: cloxacillin 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 | 2001-12-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.840, 50.230, 84.030 |
| Unit cell angles | 90.00, 119.93, 90.00 |
Refinement procedure
| Resolution | 54.000 - 1.900 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.25700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nzo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.374 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.336 |
| Number of reflections | 30737 | |
| <I/σ(I)> | 7 | 2 |
| Completeness [%] | 97.5 | 78.5 |
| Redundancy | 4.9 | 3.6 |
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 |
