5D5U
Crystal structure of human Hsf1 with HSE DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.87260 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 37.436, 39.820, 94.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.910 |
R-factor | 0.2247 |
Rwork | 0.223 |
R-free | 0.26730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d5w |
RMSD bond length | 0.005 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.190 | 47.190 | 3.090 |
High resolution limit [Å] | 2.910 | 8.730 | 2.910 |
Rmerge | 0.138 | 0.047 | 0.821 |
Rpim | 0.069 | 0.024 | 0.403 |
Total number of observations | 16032 | 670 | 2156 |
Number of reflections | 3303 | ||
<I/σ(I)> | 9 | 21.6 | 2.1 |
Completeness [%] | 96.9 | 98.7 | 82.7 |
Redundancy | 4.9 | 4.2 | 4.8 |
CC(1/2) | 0.994 | 0.998 | 0.750 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 21 % PEG-3350, 0.2 M (NH4)2_SO4 |