5NDE
Crystal structure of metallo-beta-lactamase SPM-1 in space group P4222
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 130.740, 130.740, 100.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.261 - 1.700 |
R-factor | 0.1624 |
Rwork | 0.162 |
R-free | 0.17250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bp0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.261 | 1.940 |
High resolution limit [Å] | 1.700 | 1.700 |
Rpim | 0.029 | 0.477 |
Number of reflections | 96075 | |
<I/σ(I)> | 21.3 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.8 | 21.3 |
CC(1/2) | 1.000 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 1.0 M lithium sulfate, 1.6 M ammonium sulfate |