8TEB
Structure of MKbur
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-28 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.338, 93.034, 90.389 |
Unit cell angles | 90.00, 90.05, 90.00 |
Refinement procedure
Resolution | 46.500 - 2.200 |
Rwork | 0.186 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.289 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.500 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.113 | 0.717 |
Rpim | 0.046 | 0.285 |
Number of reflections | 32249 | 2760 |
<I/σ(I)> | 13.7 | 2.8 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 7 | 7 |
CC(1/2) | 0.998 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Sitting drops were set up with 150 nL plus 150 nL volumes over 50 microlitre wells; the crystallisation reservoir contained: 20% PEG 8000, 200 mM MgCl2, 100 mM tris pH 8.5 and 3% trehalose. The protein concentration was about 24 mg/mL |