3RKJ
Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae
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 | 2011-04-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.712, 51.113, 70.680 |
Unit cell angles | 90.00, 106.96, 90.00 |
Refinement procedure
Resolution | 38.449 - 2.000 |
R-factor | 0.195 |
Rwork | 0.192 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 2YZ3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.235 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.153 | 0.557 |
Number of reflections | 26835 | |
<I/σ(I)> | 6.3 | 2.5 |
Completeness [%] | 95.0 | 96.8 |
Redundancy | 3.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.17 M Ammonium sulfate 25.5 % (w/v) PEG 4000, 15 % (v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |