5GMZ
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.017, 67.215, 87.669 |
| Unit cell angles | 68.10, 68.43, 83.07 |
Refinement procedure
| Resolution | 33.308 - 1.700 |
| R-factor | 0.1742 |
| Rwork | 0.174 |
| R-free | 0.19630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bmg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.047 | 0.022 | 1.001 |
| Rmeas | 0.055 | 0.025 | 1.157 |
| Rpim | 0.027 | 0.012 | 0.576 |
| Total number of observations | 565211 | ||
| Number of reflections | 137833 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 96.4 | 97 | 95.2 |
| Redundancy | 4.1 | 4.2 | 4 |
| CC(1/2) | 0.999 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 100 mM citrate, 21%(v/v) isopropanol, 1% (w/v) PEG 10000 |
