6GPY
Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97622 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.819, 44.172, 54.158 |
Unit cell angles | 90.00, 116.02, 90.00 |
Refinement procedure
Resolution | 48.410 - 2.250 |
R-factor | 0.17384 |
Rwork | 0.170 |
R-free | 0.24380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xk2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.656 |
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] | 48.670 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.088 | 0.338 |
Rmeas | 0.103 | 0.397 |
Rpim | 0.052 | 0.205 |
Number of reflections | 11042 | 1589 |
<I/σ(I)> | 10.1 | 3.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.994 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | Precipitant: 25 % wt/vol PEG 2000, 200mM MgCl2, 100 mM sodium cacodylate, pH 6.5 Sample: Hsp90a-NTD 20 mg/mL, 10 mM AMPPNP, 500 mM NaCl, 20 mM TRIS, pH 7.5 |