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 |