6GPO
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with cAMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.90912 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.068, 42.241, 54.555 |
Unit cell angles | 90.00, 116.60, 90.00 |
Refinement procedure
Resolution | 48.780 - 1.480 |
R-factor | 0.1716 |
Rwork | 0.169 |
R-free | 0.21844 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xk2 |
RMSD bond length | 0.013 |
RMSD bond angle | 2.143 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.780 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.051 | 0.309 |
Rmeas | 0.059 | 0.362 |
Rpim | 0.030 | 0.186 |
Number of reflections | 36112 | 5159 |
<I/σ(I)> | 11.6 | 3.6 |
Completeness [%] | 97.7 | 96.1 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Precipitant: 25 % wt/vol PEG 2000,2 200mM MgCl2, 100 mM sodium cacodylate, pH 6.5 Sample: Hsp90a-NTD K112A 20 mg/mL, 10 mM cAMP, 500 mM NaCl, 20 mM TRIS, pH 7.5 |