6GUD
Siderophore hydrolase EstB from Aspergillus fumigatus
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 | 2016-02-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.530, 89.660, 130.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.17783 |
| Rwork | 0.177 |
| R-free | 0.20083 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qm0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.056 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.499 |
| Number of reflections | 69667 | |
| <I/σ(I)> | 14.5 | 3.4 |
| Completeness [%] | 98.1 | 98.4 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M citrate pH 5.5 0.95 M ammonium sulfate |
