4EQI
Crystal structure of serratia fonticola carbapenemase SFC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.117 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.330, 85.430, 70.280 |
Unit cell angles | 90.00, 103.27, 90.00 |
Refinement procedure
Resolution | 17.850 - 1.380 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ov5 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.029 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.430 |
High resolution limit [Å] | 1.380 | 2.970 | 1.380 |
Rmerge | 0.064 | 0.023 | 0.568 |
Number of reflections | 99419 | ||
<I/σ(I)> | 18.234 | 46.03 | 2.03 |
Completeness [%] | 99.6 | 99.4 | 99.4 |
Redundancy | 3.6 | 3.8 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Na acetate, PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |