8Y1R
in situ room temperature Laue crystallography
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL03HB |
Synchrotron site | SSRF |
Beamline | BL03HB |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2023-12-01 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.6 - 1.58 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.560, 78.560, 37.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.480 - 2.000 |
R-factor | 0.2068 |
Rwork | 0.201 |
R-free | 0.26010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2epe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.128 |
Data reduction software | LaueView |
Data scaling software | LaueView |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.480 | 2.150 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.240 | 0.250 |
Number of reflections | 7617 | 1284 |
<I/σ(I)> | 8.1 | 4 |
Completeness [%] | 90.8 | 84.6 |
Redundancy | 1 | |
CC(1/2) | 0.920 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | sodium acetate buffer, pH 4.55, and sodium chloride |