5M1Z
STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A FROM FUSARIUM GRAMINEARUM IN COMPLEX WITH AN hydroximolactone INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-26 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.12713 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 105.222, 105.222, 140.234 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.060 - 2.000 |
| R-factor | 0.148 |
| Rwork | 0.146 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ydt |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.785 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.060 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.561 |
| Number of reflections | 26709 | |
| <I/σ(I)> | 11.1 | 3.6 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 40% peg550MME 0.1M mes 6.5 0.2M MnSO4 |
