2Y2P
Penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (z10)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 97.670, 149.506, 98.688 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.390 - 1.620 |
| R-factor | 0.22017 |
| Rwork | 0.217 |
| R-free | 0.25051 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bg1 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.270 |
| 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] | 44.400 | 1.720 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 89431 | |
| <I/σ(I)> | 35.58 | 3.5 |
| Completeness [%] | 79.7 | 52.3 |
| Redundancy | 5.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.2 | 50MM HEPES PH 7.2, 3M NACL, 0.6-0.9M AMMONIUM SULFATE |
