7NQZ
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537
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 | 2019-07-13 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9159 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.870, 103.226, 104.065 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.290 - 2.319 |
R-factor | 0.2107 |
Rwork | 0.209 |
R-free | 0.23590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rzq |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.060 | 2.360 |
High resolution limit [Å] | 2.320 | 2.320 |
Rmeas | 0.116 | 2.300 |
Number of reflections | 38003 | 1808 |
<I/σ(I)> | 9.9 | 6.3 |
Completeness [%] | 100.0 | 96.6 |
Redundancy | 6.4 | 6.3 |
CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 20 mM HEPES pH 7.4 50 mM NaCl 1 mM DTT 3.5 mM AMP-PNP 24% w/v PEG 1500 20% v/v glycerol |