3E2L
Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1159 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 162.243, 66.391, 82.205 |
Unit cell angles | 90.00, 101.28, 90.00 |
Refinement procedure
Resolution | 51.786 - 1.870 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.21280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.124 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.084 | 0.463 |
Number of reflections | 70092 | |
Completeness [%] | 98.4 | 90.3 |
Redundancy | 3.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 290 | 20% PEG 8000, 6% ethylene glycol, 100mM citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |