7T0A
Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-20 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 141.210, 141.210, 129.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.930 - 2.099 |
R-factor | 0.1873 |
Rwork | 0.187 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sfx |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.930 | 2.174 |
High resolution limit [Å] | 2.099 | 2.099 |
Rmerge | 0.084 | 0.772 |
Rmeas | 0.092 | 0.846 |
Rpim | 0.037 | 0.342 |
Number of reflections | 76837 | 7492 |
<I/σ(I)> | 14.54 | 2.43 |
Completeness [%] | 99.7 | 98.21 |
Redundancy | 6.2 | 6 |
CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 290 | 100mM CAPSO pH9.5, 50-75mM Li2SO4, 200mM NaCl, 16%-21% PEG4000. |