6TPM
Crystal structure of AmpC from E.coli with Relebactam (MK-7655)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 138.500, 138.500, 138.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.167 - 1.720 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iem |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.540 | 56.540 | 1.760 |
High resolution limit [Å] | 1.720 | 7.690 | 1.720 |
Rmerge | 0.113 | 0.047 | 3.977 |
Rmeas | 0.114 | 0.047 | 4.003 |
Rpim | 0.013 | 0.006 | 0.454 |
Total number of observations | 3750555 | ||
Number of reflections | 48671 | 668 | 3535 |
<I/σ(I)> | 31.6 | 106.9 | 1.7 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 77.1 | 61.3 | 76.9 |
CC(1/2) | 1.000 | 1.000 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 273 | 26% PEG6000, 0.01 M ZnCl2, 0.1 M MES pH=6.0 |