4GQQ
Human pancreatic alpha-amylase with bound ethyl caffeate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.060, 68.120, 125.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.060 - 1.350 |
Rwork | 0.197 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.060 | 52.060 | 1.420 |
High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
Number of reflections | 98366 | ||
Completeness [%] | 99.4 | 92.9 | 98.2 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 100 mM sodium cacodylate, 60% MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K |