6GUG
Siderophore hydrolase EstB mutant S148A 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 | 54.790, 92.360, 130.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.450 |
| R-factor | 0.16714 |
| Rwork | 0.166 |
| R-free | 0.18511 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.051 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.050 | 0.590 |
| Number of reflections | 113283 | |
| <I/σ(I)> | 12.3 | 2.2 |
| Completeness [%] | 95.8 | 96.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 6.0 1 M ammonium sulfate |
