7RPA
X-ray crystal structure of OXA-24/40 K84D in complex with meropenem
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0781 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.770, 102.770, 86.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.020 - 2.270 |
R-factor | 0.2141 |
Rwork | 0.211 |
R-free | 0.26890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pae |
RMSD bond length | 0.008 |
RMSD bond angle | 1.741 |
Data reduction software | AutoProcess |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.020 | 2.282 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.104 | 1.109 |
Rmeas | 0.111 | 1.187 |
Rpim | 0.039 | 0.412 |
Number of reflections | 21722 | 201 |
<I/σ(I)> | 16.3 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.9 | 7.8 |
CC(1/2) | 0.998 | 0.896 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 2% v/v PEG 4000, 2.0 M ammonium sulfate |