4CVY
Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-11 |
| Detector | PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.970, 128.150, 138.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.040 - 2.000 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.25382 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ffa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.741 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.400 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | |
| Number of reflections | 74877 | |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 98.0 | |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 22% PEG2000, 300 MM MAGNESIUM NITRATE, 100 MM TRIS/HCL PH 8.0, 2% MPD |
