6J06
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-01-02 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 112.929, 211.588, 56.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.000 - 2.650 |
R-factor | 0.17429 |
Rwork | 0.172 |
R-free | 0.22346 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n7u |
RMSD bond length | 0.011 |
RMSD bond angle | 1.425 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.064 | |
Number of reflections | 40042 | 3941 |
<I/σ(I)> | 36.18 | |
Completeness [%] | 99.8 | |
Redundancy | 6.5 | |
CC(1/2) | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Lithium Sulfate monohydrate, tri-Sodium Citrate dihydrate, Ammonium Sulfate |