7D5J
CRYSTAL STRUCTURE OF R220A VARIANT PENA BETA-LACTAMASE FROM BURKHOLDERIA MULTIVORANS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.343, 71.158, 84.541 |
Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
Resolution | 42.270 - 1.510 |
R-factor | 0.1747 |
Rwork | 0.174 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w4q |
RMSD bond length | 0.005 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.270 | 1.530 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.056 | 0.365 |
Rmeas | 0.064 | 0.427 |
Rpim | 0.056 | 0.218 |
Number of reflections | 114986 | 5243 |
<I/σ(I)> | 12.5 | 2.5 |
Completeness [%] | 99.6 | 92.5 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 250microL reservoir (25% polyethylene glycol 8kDa (PEG 8000), 0.1 M MES at pH 6.5)), 4microL hanging drop (7.5 mg/ml protein, 12.5% PEG 8000, 0.05M MES at pH 6.5). Adding Acetone to the drop (final 4%) improved the crystal size and shape. |