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 |