4HUU
Crystal Structure of H2Db-NPM6I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.956 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 83.690, 72.270, 86.830 |
| Unit cell angles | 90.00, 103.29, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.000 |
| R-factor | 0.1934 |
| Rwork | 0.191 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cpl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.103 |
| Number of reflections | 68232 |
| <I/σ(I)> | 11.54 |
| Completeness [%] | 94.4 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M Tris HCl, 0.2M LiSO4, 25-30% PEG 8000, pH 8.5, vapor diffusion, hanging drop, temperature 298K |
