6B6E
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
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 | 2016-09-10 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.3 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.640, 41.740, 69.520 |
Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
Resolution | 20.870 - 1.901 |
R-factor | 0.2023 |
Rwork | 0.200 |
R-free | 0.24520 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.518 |
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] | 20.870 | 2.020 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 16257 | |
<I/σ(I)> | 8.6 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 806 | 36.5 |
CC(1/2) | 0.997 | 0.302 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | 0.1 M sodium acetate pH 5.0, 45% PEG 1000 |