8SMU
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
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 | 2020-12-11 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.826, 272.783, 73.518 |
| Unit cell angles | 90.00, 114.22, 90.00 |
Refinement procedure
| Resolution | 48.320 - 2.450 |
| R-factor | 0.2099 |
| Rwork | 0.209 |
| R-free | 0.23280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.025 | 49.025 | 2.648 |
| High resolution limit [Å] | 2.353 | 7.557 | 2.353 |
| Rmerge | 0.104 | 0.053 | 0.616 |
| Rmeas | 0.123 | 0.064 | 0.736 |
| Rpim | 0.066 | 0.034 | 0.399 |
| Total number of observations | 193381 | 9399 | 9600 |
| Number of reflections | 56878 | 2844 | 2846 |
| <I/σ(I)> | 7.26 | 17.43 | 1.8 |
| Completeness [%] | 92.2 | 98.7 | 74.2 |
| Completeness (spherical) [%] | 60.2 | 98.7 | 10.1 |
| Completeness (ellipsoidal) [%] | 92.2 | 98.7 | 74.2 |
| Redundancy | 3.4 | 3.3 | 3.37 |
| CC(1/2) | 0.994 | 0.994 | 0.686 |
| Anomalous completeness (spherical) | 57.7 | 94.7 | 9.7 |
| Anomalous completeness | 88.4 | 94.7 | 70.6 |
| Anomalous redundancy | 1.8 | 1.7 | 1.7 |
| CC(ano) | -0.011 | -0.044 | -0.021 |
| |DANO|/σ(DANO) | 0.8 | 0.7 | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 298 | 1.9 M ammonium sulfate, 0.1 M sodium cacodylate trihydrate, 0.2 M sodium chloride |
