2QMI
Structure of the octameric penicillin-binding protein homologue from Pyrococcus abyssi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.34029 |
| Spacegroup name | P 1 |
| Unit cell lengths | 100.940, 105.630, 112.920 |
| Unit cell angles | 72.17, 66.51, 81.39 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.24100 |
| Structure solution method | SAD |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 198053 | |
| <I/σ(I)> | 17.4 | 7.2 |
| Completeness [%] | 95.7 | 93.8 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.02M calcium chloride dihydrate, 0.1M sodium acetate trihydrate, 30% MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
