4FLS
Crystal structure of Amylosucrase inactive double mutant F290K-E328Q from Neisseria polysaccharea in complex with sucrose.
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 | CCD |
| Collection date | 2010-09-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.800 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.110, 114.700, 54.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 11.980 - 2.300 |
| R-factor | 0.17829 |
| Rwork | 0.176 |
| R-free | 0.22036 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g5a |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.125 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.350 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.142 | 0.418 |
| Number of reflections | 26993 | |
| <I/σ(I)> | 5.1 | 1.9 |
| Completeness [%] | 98.8 | 96.7 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 30% PEG 6000, 0.1 M HEPES, 0.020 M sucrose, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285.0K |
