7K9V
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452
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] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97932 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.562, 44.289, 78.000 |
Unit cell angles | 90.00, 104.36, 90.00 |
Refinement procedure
Resolution | 29.290 - 1.910 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.19410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cji |
RMSD bond length | 0.008 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.290 | 1.960 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.053 | 0.569 |
Number of reflections | 37086 | 3565 |
<I/σ(I)> | 17.8 | 2.3 |
Completeness [%] | 98.2 | 89.5 |
Redundancy | 6.8 | 6.6 |
CC(1/2) | 0.999 | 0.909 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1 M LiCl, 0.1 M Hepes or Cacodylate, 6.5 to 7, 20-25% PEG 6K, 10-20% DMSO |