4US6
New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.999, 93.677, 99.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.210 - 1.200 |
| R-factor | 0.10784 |
| Rwork | 0.106 |
| R-free | 0.13237 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oad |
| RMSD bond length | 0.063 |
| RMSD bond angle | 1.926 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.610 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.090 | 0.540 |
| Number of reflections | 247728 | |
| <I/σ(I)> | 16.7 | 3.2 |
| Completeness [%] | 99.0 | 91.6 |
| Redundancy | 12 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | GEL COUNTERDIFFUSION: 1 M AMMONIUM SULPHATE, 10 MM TRIS PH 8.5 |
