6TWW
Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 78.230, 78.230, 198.322 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.310 - 1.380 |
R-factor | 0.1509 |
Rwork | 0.150 |
R-free | 0.16590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4uhu |
RMSD bond length | 0.013 |
RMSD bond angle | 1.274 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.310 | 1.430 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.050 | 0.677 |
Rmeas | 0.051 | 0.715 |
Rpim | 0.013 | 0.227 |
Number of reflections | 74330 | 7295 |
<I/σ(I)> | 27.24 | 2.43 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.3 | 9.6 |
CC(1/2) | 1.000 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 4.0 M Sodium formate, 100 mM Tris HCl pH 7.0 |