8OKV
lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.770, 131.040, 179.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.123 - 2.600 |
Rwork | 0.218 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 2.466 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.700 | 2.680 |
High resolution limit [Å] | 2.600 | 2.600 |
Rpim | 0.060 | |
Number of reflections | 54678 | 4401 |
<I/σ(I)> | 11.8 | 1.1 |
Completeness [%] | 99.4 | |
Redundancy | 13.2 | |
CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Optimised from Index H8, 0.1MgFormate 15% PEG 3350 |