8KHU
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97791 |
Spacegroup name | P 1 |
Unit cell lengths | 66.207, 65.983, 86.412 |
Unit cell angles | 68.62, 68.42, 83.33 |
Refinement procedure
Resolution | 43.040 - 2.000 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.21310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.494 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.063 | 0.689 | |
Rmeas | 0.073 | 0.814 | |
Rpim | 0.037 | 0.427 | |
Number of reflections | 81798 | 4149 | 4005 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 96.6 | 98.1 | 94.4 |
Redundancy | 3.6 | 3.7 | 3.4 |
CC(1/2) | 0.500 | 0.995 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM citrate, 21%(vol/vol) isopropanol, 1%(W/V) PEG 10000 |