6GUI
Siderophore hydrolase EstB mutant H267N 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 | 2016-04-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.970, 92.610, 130.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.700 |
| R-factor | 0.16009 |
| Rwork | 0.159 |
| R-free | 0.18724 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.053 |
| 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 | 0.052 | 0.576 |
| Number of reflections | 73016 | |
| <I/σ(I)> | 14.7 | 3.1 |
| Completeness [%] | 98.3 | 99.1 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M citrate pH 4.5 0.9 M ammonium tartrate |
