6GUO
Siderophore hydrolase EstA from Aspergillus nidulans
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 | 2016-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 105.570, 236.190, 51.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.750 |
| R-factor | 0.16517 |
| Rwork | 0.163 |
| R-free | 0.20317 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.153 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.092 | 0.556 |
| Number of reflections | 129886 | |
| <I/σ(I)> | 9.6 | 2.4 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Bis-Tris pH 5.5 0.25 M NaCl 20 % PEG3350 |
