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 |