6D7H
CTX-M-14 Apoenzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.710, 41.710, 232.524 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.681 - 1.801 |
R-factor | 0.1882 |
Rwork | 0.183 |
R-free | 0.23580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ua6 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.105 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.060 | 0.039 | 0.130 |
Rmeas | 0.064 | 0.041 | 0.136 |
Rpim | 0.020 | 0.014 | 0.042 |
Number of reflections | 41446 | 1247 | 1092 |
<I/σ(I)> | 11.3 | ||
Completeness [%] | 98.8 | 92.4 | 100 |
Redundancy | 10.3 | 8.8 | 10.7 |
CC(1/2) | 0.997 | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 293.15 | 1.0 M potassium phosphate, pH 8.3 |