7K9U
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429
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 | 2020-01-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.117, 44.328, 77.444 |
Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
Resolution | 29.450 - 1.920 |
R-factor | 0.2121 |
Rwork | 0.211 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cji |
RMSD bond length | 0.011 |
RMSD bond angle | 1.200 |
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] | 29.460 | 1.960 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.062 | 0.881 |
Rmeas | 0.068 | 0.959 |
Rpim | 0.027 | 0.372 |
Number of reflections | 36323 | 3444 |
<I/σ(I)> | 16.7 | 2.1 |
Completeness [%] | 99.2 | 89.6 |
Redundancy | 6.7 | 6.2 |
CC(1/2) | 0.998 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1M LiCl, HEPES pH 7, 20-25% PEG 6K, 10-20% DMSO |