6I1R
Crystal structure of CMP bound CST in an outward facing conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.379, 181.009, 53.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.830 - 2.800 |
R-factor | 0.2401 |
Rwork | 0.239 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i20 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.846 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 45.787 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.040 | 1.944 | |
Rmeas | 0.201 | 0.045 | 2.094 |
Rpim | 0.076 | 0.020 | 0.773 |
Number of reflections | 20716 | 668 | 3021 |
<I/σ(I)> | 7.2 | 32 | 0.8 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7 | 6.8 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5 | 293 | 400 mM Ammonium sulfate, 100 mM Lithium sulfate, 100 mM NaCl, 100 mM Sodium citrate, 30% PEG 300, tert butanol and 1.2 mM CMP |