7R2A
Crystal structure of Ta_Cel5A Y200F variant, apoform
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.040, 84.780, 89.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.780 - 1.300 |
R-factor | 0.1534 |
Rwork | 0.153 |
R-free | 0.16680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gzj |
Data reduction software | XDS (20210323) |
Data scaling software | XSCALE (20210323) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.780 | 47.780 | 1.340 |
High resolution limit [Å] | 1.300 | 5.820 | 1.300 |
Rmerge | 0.086 | 0.047 | 1.770 |
Rmeas | 0.090 | 0.050 | 1.854 |
Total number of observations | 1719356 | ||
Number of reflections | 139574 | 1740 | 9000 |
<I/σ(I)> | 14.36 | 40.93 | 1.49 |
Completeness [%] | 99.0 | 99.5 | 87.2 |
Redundancy | 12.319 | 10.819 | 11.34 |
CC(1/2) | 0.999 | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Reservoir solution: 0.1M Tris pH6.5, 1.6M ammonium sulfate Drop: 2 ul of 430 uM enzyme mixed with 2 ul of reservoir solution, 0.2 ul of microseeds |