1HJW
Crystal structure of hcgp-39 in complex with chitin octamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2002-11-15 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 109.485, 123.629, 136.217 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.880 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HCGP-39 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.068 | 0.625 |
| Number of reflections | 39388 | |
| <I/σ(I)> | 10.7 | 2.3 |
| Completeness [%] | 96.2 | 91.1 |
| Redundancy | 7.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.2 MAMMONIUM SULFATE, 0.1 M SODIUM CITRATE PH 4.6, 25% PEG 4000, 100 MM DTT |
