2G2W
Crystal Structure of the SHV D104K Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.563, 44.825, 62.902 |
| Unit cell angles | 78.88, 88.94, 62.42 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.18172 |
| Rwork | 0.180 |
| R-free | 0.22183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | polyalanine models of chain A from PDB 1SHV and chain B from PDB 1JTG |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.209 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 35776 | |
| <I/σ(I)> | 25.389 | 6.07 |
| Completeness [%] | 95.9 | 89.7 |
| Redundancy | 2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 6.5 | 293 | 4% PEG 8000, 25mM cacodylate, 10 mM BisTris, 25mM NaCl, pH 6.5, EVAPORATION, temperature 293K |
