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 |