7LPP
Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 150 |
Detector technology | PIXEL |
Collection date | 2020-02-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.100, 133.161, 129.586 |
Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
Resolution | 58.120 - 2.850 |
R-factor | 0.1933 |
Rwork | 0.191 |
R-free | 0.24200 |
Structure solution method | SAD |
Data reduction software | Aimless |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.490 | 65.490 | 2.910 |
High resolution limit [Å] | 2.850 | 14.250 | 2.850 |
Rmerge | 0.334 | 0.082 | 1.752 |
Rmeas | 0.361 | 0.090 | 1.887 |
Rpim | 0.135 | 0.035 | 0.697 |
Number of reflections | 77245 | 642 | 4537 |
<I/σ(I)> | 5.1 | 9.3 | 1.5 |
Completeness [%] | 99.7 | 98.4 | 99.4 |
Redundancy | 7 | 6.7 | 7.2 |
CC(1/2) | 0.975 | 0.988 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG8000, MgCl2, Tris 7.5, hit 1 |