2Q5U
Crystal structure of IQN17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-31 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 45.515, 47.895, 136.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.690 - 1.500 |
| R-factor | 0.24946 |
| Rwork | 0.244 |
| R-free | 0.29999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1czq |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.778 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.065 | 0.320 |
| Number of reflections | 24434 | |
| <I/σ(I)> | 3.1 | |
| Completeness [%] | 100.0 | 95.5 |
| Redundancy | 5.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 294 | 21% PEG4000, 0.15 M ammonium sulfate, 0.1 M sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
