7RAX
ATP-binding state of the nucleotide-binding domain of Hsp70 DnaK mutant T199A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.806, 48.118, 63.951 |
Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
Resolution | 44.180 - 1.410 |
R-factor | 0.1642 |
Rwork | 0.164 |
R-free | 0.18840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jne |
RMSD bond length | 0.009 |
RMSD bond angle | 1.023 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.120 | 48.120 | 1.380 |
High resolution limit [Å] | 1.360 | 7.450 | 1.360 |
Rmerge | 0.126 | 0.034 | 2.997 |
Rmeas | 0.137 | 0.036 | 3.295 |
Rpim | 0.052 | 0.014 | 1.338 |
Total number of observations | 523261 | 3719 | 22066 |
Number of reflections | 79232 | 536 | 3864 |
<I/σ(I)> | 8.1 | 39.7 | 0.5 |
Completeness [%] | 99.7 | 99.7 | 98.7 |
Redundancy | 6.6 | 6.9 | 5.7 |
CC(1/2) | 0.998 | 0.998 | 0.265 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 277.15 | 0.1 M HEPES pH 7.5, 0.2 M sodium iodide, 20% w/v PEG 3350 |