7K9S
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-24 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9202 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.639, 78.450, 188.105 |
Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
Resolution | 18.210 - 3.210 |
R-factor | 0.2143 |
Rwork | 0.212 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cji |
RMSD bond length | 0.005 |
RMSD bond angle | 0.740 |
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] | 18.210 | 3.240 |
High resolution limit [Å] | 3.210 | 3.210 |
Rmerge | 0.323 | |
Number of reflections | 24421 | 2323 |
<I/σ(I)> | 6.04 | |
Completeness [%] | 98.7 | 96.43 |
Redundancy | 5.2 | 4.8 |
CC(1/2) | 0.996 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1M LiCl, Hepes pH 7, 20-25% PEG 6K, 10-20% DMSO |