3FAX
The crystal structure of GBS pullulanase SAP in complex with maltotetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-06-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.214, 102.862, 171.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.22422 |
| Rwork | 0.221 |
| R-free | 0.28259 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3faw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.014 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.077 | 0.351 |
| Number of reflections | 34193 | |
| <I/σ(I)> | 11.9 | 2.7 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.8 | 293 | 30% PEG3K, 0.2M CaCl2, 0.05M CAPSO, pH9.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
