7TI2
Structure of KPC-2 bound to RPX-7063 at 1.75A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 |
Unit cell lengths | 80.100, 80.100, 44.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.050 - 1.750 |
R-factor | 0.1584 |
Rwork | 0.157 |
R-free | 0.17930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ov5 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.007 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev 2050) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.049 | 0.023 | 0.254 |
Rmeas | 0.055 | 0.025 | 0.319 |
Number of reflections | 28464 | 359 | 2080 |
<I/σ(I)> | 21.3 | 65.18 | 3.61 |
Completeness [%] | 98.4 | 98.9 | 97.2 |
Redundancy | 4.63 | 6.82 | 2.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 26.8 mg/ml KPC-2 R4327, 2M NaCl, 100mM Bicine pH9; co-crystallization |