4H0D
New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae
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 | 2011-10-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.101, 78.606, 133.711 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.771 - 1.498 |
R-factor | 0.122 |
Rwork | 0.120 |
R-free | 0.15800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.132 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.498 | 1.500 |
Number of reflections | 67113 | |
<I/σ(I)> | 9.3 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M sodium chloride, 0.1 M HEPES pH 7.5, 25 % w/v Polyethylene glycol 3,350, 10 mM manganese chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K |