3TSD
Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 4 |
| Unit cell lengths | 123.250, 123.250, 141.636 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.975 - 2.653 |
| R-factor | 0.195 |
| Rwork | 0.192 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1ZFJ monomer |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.275 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_851)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 30553 | |
| <I/σ(I)> | 10.4 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.8 M sodium/potassium tartrate tetrahydrate, 0.1 M Tris pH8.5, 0.5 % PEGMME 5000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
