3USB
Crystal Structure of Bacillus anthracis Inosine Monophosphate Dehydrogenase in the complex with IMP
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97959 |
Spacegroup name | I 4 |
Unit cell lengths | 122.519, 122.519, 140.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.744 - 2.380 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20100 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.410 |
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 | 2.420 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 41552 | |
<I/σ(I)> | 12.9 | 3.33 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 289 | 20% (w/v) PEG3350, 0.2 M, magnessium sulfate, 0.1 M TrisHCl pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |