6I2Z
Isolated globin domain of the Bordetella pertussis globin-coupled sensor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.87260 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.960, 86.720, 41.820 |
| Unit cell angles | 90.00, 93.34, 90.00 |
Refinement procedure
| Resolution | 66.810 - 3.200 |
| R-factor | 0.21235 |
| Rwork | 0.209 |
| R-free | 0.23983 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uiq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.454 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.810 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.246 | 0.527 |
| Number of reflections | 6186 | 897 |
| <I/σ(I)> | 3.4 | 2 |
| Completeness [%] | 99.2 | 99.5 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 1.6 M magnesium sulphate and 0.1 M MES pH 6.5 |
