8CWP
X-ray crystal structure of NTHi Protein D bound to a putative glycerol moiety
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979270 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.090, 73.090, 162.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.800 |
R-factor | 0.1561 |
Rwork | 0.154 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ydy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.059 |
Data reduction software | XDS |
Data scaling software | pointless |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 2.600 |
Number of reflections | 41845 | 2934 |
<I/σ(I)> | 17.5 | 0.98 |
Completeness [%] | 99.7 | 96 |
Redundancy | 14.5 | 13.6 |
CC(1/2) | 0.999 | 0.394 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | 20% w/v PEG3000, 0.1 M Sodium Citrate pH 5.5 |