3EE4
R2-like ligand binding Mn/Fe oxidase from M. tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 54.565, 54.565, 176.651 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.850 - 1.900 |
| R-factor | 0.14999 |
| Rwork | 0.149 |
| R-free | 0.17692 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.699 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 24918 | |
| <I/σ(I)> | 17.1 | 3.5 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 5.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 180mM Calcium acetate, 15-18% PEG18000, 0.1M Sodium Cacodylate, pH6.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
