5U53
CTX-M-14 E166A with acylated ceftazidime molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2016-05-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 42.030, 42.030, 262.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.330 - 1.400 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.063 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.1) |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.320 | 30.320 | 1.420 |
High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
Rmerge | 0.150 | 0.049 | 0.980 |
Rmeas | 0.158 | 0.051 | 1.268 |
Rpim | 0.042 | 0.013 | 0.311 |
Total number of observations | 611303 | 6001 | 34920 |
Number of reflections | 47304 | ||
<I/σ(I)> | 10 | 26.4 | 2.5 |
Completeness [%] | 98.4 | 98.9 | 98.3 |
Redundancy | 12.9 | 14.3 | 15 |
CC(1/2) | 0.997 | 0.999 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium nitrate, 20% (w/v) PEG 3350 |