3SPU
apo NDM-1 Crystal Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-05-27 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.536, 73.904, 77.407 |
| Unit cell angles | 70.32, 75.86, 65.30 |
Refinement procedure
| Resolution | 43.670 - 2.100 |
| R-factor | 0.218 |
| Rwork | 0.216 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whg |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.737 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.210 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.083 | |
| Number of reflections | 70204 | |
| <I/σ(I)> | 9 | |
| Completeness [%] | 96.0 | 89.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | .1M lithium sulfate, .63M ammonium sulfate, .05M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
