8TE9
Crystal Structure of an Isethionate bound Substrate Binding Protein (IseP) from an Isethionate TRAP Transporter
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.200, 83.210, 91.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.900 - 1.250 |
Rwork | 0.146 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 2.003 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.900 | 46.900 | 1.270 |
High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
Rmerge | 0.102 | 0.051 | 1.613 |
Rmeas | 0.104 | 0.052 | 1.692 |
Rpim | 0.020 | 0.010 | 0.504 |
Number of reflections | 150942 | 1056 | 7262 |
<I/σ(I)> | 23.9 | ||
Completeness [%] | 98.7 | ||
Redundancy | 48.5 | 47.5 | 21.3 |
CC(1/2) | 1.000 | 0.998 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | Sodium nitrate, PEG 3350 |