5WHM
Crystal Structure of IclR Family Transcriptional Regulator from Brucella abortus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.152, 112.462, 83.649 |
| Unit cell angles | 90.00, 115.86, 90.00 |
Refinement procedure
| Resolution | 33.556 - 1.950 |
| R-factor | 0.1789 |
| Rwork | 0.177 |
| R-free | 0.21230 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.042 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rpim | 0.055 | 0.517 |
| Number of reflections | 89094 | 4102 |
| <I/σ(I)> | 18.9 | 1.53 |
| Completeness [%] | 99.4 | 93.1 |
| Redundancy | 4.1 | 2.8 |
| CC(1/2) | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M calcium acetate, 0.1 M HEPES:NaOH, pH 7.5, 10% w/v PEG8000 |
