5SBI
The crystal structure of METP in complex with Co at a resolution of 1.80A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 37.264, 56.180, 19.225 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.054 - 1.799 |
R-factor | 0.1459 |
Rwork | 0.144 |
R-free | 0.18130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Rosetta computational model |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.054 | 1.910 |
High resolution limit [Å] | 1.799 | 1.799 |
Rmerge | 0.125 | 0.449 |
Rmeas | 0.136 | 0.486 |
Number of reflections | 593 | |
<I/σ(I)> | 12.02 | 4.17 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.75 | 6.75 |
CC(1/2) | 0.997 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 0.1 M HEPES, 1.4 M sodium citrate tribasic dihydrate |