3GAC
Structure of mif with HPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.500, 99.530, 106.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.750 - 2.100 |
| R-factor | 0.1588 |
| Rwork | 0.158 |
| R-free | 0.19108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gad |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.956 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.740 | 2.200 | |
| High resolution limit [Å] | 2.100 | 10.000 | 2.100 |
| Rmerge | 0.064 | 0.028 | 0.235 |
| Number of reflections | 59842 | 638 | 7587 |
| <I/σ(I)> | 48.8 | 7.9 | |
| Completeness [%] | 99.8 | 99.1 | 98.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.6 | 289 | 2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate pH4.6, hanging drop, temperature 289K |
