5YPK
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.240, 73.610, 154.520 |
Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
Resolution | 42.212 - 2.000 |
R-factor | 0.1867 |
Rwork | 0.186 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rl0 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.212 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 100028 | |
<I/σ(I)> | 8.65 | 2.06 |
Completeness [%] | 90.0 | 61.6 |
Redundancy | 1.73 | 1.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 28% (w/v) PEG 3350, 0.1M Bis-Tris, pH 5.8, 0.2M ammonium sulfate |