3I33
Crystal structure of the human 70kDa heat shock protein 2 (Hsp70-2) ATPase domain in complex with ADP and inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-30 |
Detector | ADSC |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.180, 78.600, 93.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.560 - 1.300 |
R-factor | 0.18358 |
Rwork | 0.183 |
R-free | 0.19854 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fe1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.212 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.260 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.136 | 0.275 |
Total number of observations | 604452 | |
Number of reflections | 87721 | |
<I/σ(I)> | 11.6 | 4.6 |
Completeness [%] | 99.3 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.2M ammonium acetate, 0.1M bis-tris, 25% PEG 3350 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |