6SAV
Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0004 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.217, 62.600, 66.807 |
| Unit cell angles | 77.03, 81.04, 89.62 |
Refinement procedure
| Resolution | 39.990 - 1.400 |
| R-factor | 0.1377 |
| Rwork | 0.136 |
| R-free | 0.16440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2taa |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.013 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.210 | 43.210 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
| Rmerge | 0.033 | 0.020 | 0.249 |
| Rmeas | 0.044 | 0.028 | 0.337 |
| Rpim | 0.030 | 0.019 | 0.225 |
| Total number of observations | 315876 | 1815 | 10103 |
| Number of reflections | 146177 | 876 | 4879 |
| <I/σ(I)> | 9.6 | 19.3 | 2.3 |
| Completeness [%] | 92.9 | 90.8 | 61.9 |
| Redundancy | 2.2 | 2.1 | 2.1 |
| CC(1/2) | 0.998 | 0.996 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.2 M NaCl, 0.1 M Na-acetate pH 4.6, 30 %MPD |
