5FQ1
Structure of the cytoplasmic PAS domain of the Geobacillus thermodenitrificans histidine kinase CitA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.453, 74.036, 75.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.540 - 1.760 |
| R-factor | 0.18645 |
| Rwork | 0.185 |
| R-free | 0.21647 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.171 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.540 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.090 | 0.510 |
| Number of reflections | 18999 | |
| <I/σ(I)> | 10.78 | 2.4 |
| Completeness [%] | 99.3 | 96.5 |
| Redundancy | 6.34 | 6.14 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.7 | 0.4 M K2HPO4, 1.6 M NAH2PO4, 0.1 M PHOSPHATE-CITRATE, PH 4.7 |
