4HL1
Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin
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 | 2011-10-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.997, 78.700, 134.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.942 - 1.500 |
| R-factor | 0.137 |
| Rwork | 0.137 |
| R-free | 0.14900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q6X |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 123712 | |
| <I/σ(I)> | 9.8 | 2.1 |
| Completeness [%] | 98.2 | 93.5 |
| Redundancy | 6.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | B11: 0.2 M lithium sulfate, 0.1 M Bis-TrisHCl pH 6.5, 25 %(w/v) PEG 3350, 5 mM CdCl2, 100mM ampicillin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
