7OSU
sTIM11noCys-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9874 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 50.720, 50.720, 131.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.300 - 1.370 |
R-factor | 0.2106 |
Rwork | 0.209 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bvl |
RMSD bond length | 0.005 |
RMSD bond angle | 0.739 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 1.420 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.087 | 2.040 |
Rmeas | 0.090 | 2.110 |
Rpim | 0.024 | 0.558 |
Number of reflections | 36942 | 3614 |
<I/σ(I)> | 13.3 | 0.94 |
Completeness [%] | 99.9 | 99.92 |
Redundancy | 14.1 | 13.9 |
CC(1/2) | 0.995 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 50% PEG 200, 0.2 M NaCl, 0.1 M Phosphate citrate pH5.0 |