6B6B
Beta-Lactamase, unmixed needles crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 300 |
Detector technology | PIXEL |
Collection date | 2016-09-09 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.3 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.600, 41.600, 69.310 |
Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
Resolution | 19.374 - 1.800 |
R-factor | 0.2166 |
Rwork | 0.215 |
R-free | 0.24490 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.059 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.374 | 1.890 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 18815 | |
<I/σ(I)> | 9.6 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 985.3 | 54.5 |
CC(1/2) | 0.391 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | free interface diffustion | 293 | 0.1 M sodium acetate pH 5.0, 45% PEG 1000 |