5SBJ
The crystal structure of METP in complex with Cd at a resolution of 1.29 A.
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 | 37.070, 56.654, 19.331 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.020 - 1.280 |
R-factor | 0.1521 |
Rwork | 0.151 |
R-free | 0.17030 |
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] | 31.020 | 1.070 |
High resolution limit [Å] | 1.010 | 1.010 |
Rmerge | 0.123 | |
Rmeas | 0.160 | |
Number of reflections | 19836 | 3171 |
<I/σ(I)> | 3.95 | 0.07 |
Completeness [%] | 95.7 | 94.4 |
Redundancy | 2.15 | 2 |
CC(1/2) | 0.996 | 0.053 |
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 |