1PWG
Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-27 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.900, 66.700, 100.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.074 |
| R-factor | 0.1106 |
| Rwork | 0.106 |
| R-free | 0.14580 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pte |
| RMSD bond length | 0.030 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.074 | 1.074 |
| Rmerge | 0.070 | 0.068 |
| Number of reflections | 141081 | |
| <I/σ(I)> | 24.6 | 9.9 |
| Completeness [%] | 95.9 | 72.5 |
| Redundancy | 6.4 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 20% PEG 8000, 50mM Sodium Phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
