6TNK
CARBOXYPEPTIDASE T WITH N-SULFAMOYL-L-VALINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.8 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 157.531, 157.531, 104.523 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.990 - 1.900 |
R-factor | 0.143 |
Rwork | 0.142 |
R-free | 0.15570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qnv |
RMSD bond length | 0.014 |
RMSD bond angle | 1.845 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.980 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.144 | 0.330 |
Rmeas | 0.148 | |
Number of reflections | 60407 | 8678 |
<I/σ(I)> | 15.1556 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.49 | 18.25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 293 | 1.4 SA |