3SBL
Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae
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 | 2011-04-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.050, 83.269, 105.401 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.923 - 2.310 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3RKK |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.520 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_761)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 12326 | |
| <I/σ(I)> | 11.9 | 3.4 |
| Completeness [%] | 95.5 | 84.3 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 1.8 M Ammonium citrate dibasic, 0.1 M Sodium acetate trihydrate pH 4.6, 10 mM aztreonam, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
