3N4I
Crystal structure of the SHV-1 D104E beta-lactamase/beta-lactamase inhibitor protein (BLIP) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.850, 127.850, 73.183 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.900 - 1.560 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.17900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g2u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.305 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.900 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.082 | 0.447 |
| Number of reflections | 96164 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 99.6 | 96.8 |
| Redundancy | 5.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 40% ammonium sulfate, 100mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
