3NHT
Crystal structure of the AnSt-D7L1-U46619 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.932, 40.977, 68.416 |
Unit cell angles | 90.00, 110.70, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.450 |
R-factor | 0.1689 |
Rwork | 0.168 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 2.181 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.000 | 24.000 | 1.470 |
High resolution limit [Å] | 1.450 | 3.930 | 1.450 |
Rmerge | 0.040 | 0.026 | 0.179 |
Number of reflections | 53547 | ||
<I/σ(I)> | 22.8 | ||
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 4.7 | 4.5 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 3000, 0.2M lithium sulfate, 0.1M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |