2Y2K
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-03 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 98.309, 149.908, 97.578 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.550 - 2.090 |
| R-factor | 0.20781 |
| Rwork | 0.202 |
| R-free | 0.26252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bg1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.569 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0095) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 2.220 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Number of reflections | 41196 | |
| <I/σ(I)> | 30.4 | 3.56 |
| Completeness [%] | 82.8 | 58.1 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 50 MM HEPES PH 7.2, 3M NACL, 0.6-0.9 M AMMONIUM SULFATE |
