3MUX
The Crystal Structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus anthracis to 1.45A
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 | 2009-12-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.669, 68.431, 131.081 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.150 - 1.450 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.17900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.335 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
| Rmerge | 0.090 | 0.061 | 0.566 |
| Number of reflections | 89726 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 99.8 | 98.4 | 100 |
| Redundancy | 5.5 | 5.1 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 25% PEG 4000, 0.1M Tris pH 8.5, 0.2M Calcium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
