1HJV
Crystal structure of hcgp-39 in complex with chitin tetramer
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] | 113 |
Detector technology | CCD |
Collection date | 2002-10-15 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.645, 123.321, 135.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.790 - 2.750 |
R-factor | 0.212 |
Rwork | 0.212 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hjx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.950 |
High resolution limit [Å] | 2.750 | 1.850 |
Rmerge | 0.076 | 0.577 |
Number of reflections | 47968 | |
<I/σ(I)> | 11.9 | 2.4 |
Completeness [%] | 97.6 | 85.1 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE PH 4.6, 25% PEG 4000, 100 MM DTT |