1GTT
CRYSTAL STRUCTURE OF HPCE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Collection date | 1999-04-04 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 126.084, 138.201, 103.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.290 - 1.700 |
R-factor | 0.217 |
Rwork | 0.216 |
R-free | 0.25200 |
Structure solution method | MIRAS |
RMSD bond length | 0.023 |
Data reduction software | MAR |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.1.06) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.750 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.055 | 0.546 |
Number of reflections | 196319 | |
<I/σ(I)> | 18.6 | 2.2 |
Completeness [%] | 98.8 | 97.5 |
Redundancy | 3.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | MONOMETHYLETHER PEG2000, CALCIUM CHLORIDE, TRIS, pH 8.00 |