6DKQ
Crystal structure of the Shr Hemoglobin Interacting Domain 2
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 | 2017-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.470, 59.140, 102.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.770 - 1.500 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS (Jun 1 2017) |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.2) |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.770 | 19.770 | 1.540 |
High resolution limit [Å] | 1.500 | 6.700 | 1.500 |
Rmerge | 0.043 | 0.028 | 0.572 |
Rmeas | 0.046 | 0.031 | 0.625 |
Number of reflections | 32509 | 427 | 2342 |
<I/σ(I)> | 23.2 | 53.05 | 3.12 |
Completeness [%] | 99.7 | 100 | 98.4 |
Redundancy | 6.343 | 5.752 | 6.18 |
CC(1/2) | 0.999 | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 50% PEG-400, 100mM sodium acetate, 0.2M lithium sulfate |