1XRE
Crystal Structure of SodA-2 (BA5696) from Bacillus anthracis at 1.8A Resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.87000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.842, 69.866, 56.574 |
| Unit cell angles | 90.00, 106.85, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.800 |
| R-factor | 0.1617 |
| Rwork | 0.159 |
| R-free | 0.21932 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jr9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.444 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.597 |
| Number of reflections | 37730 | |
| <I/σ(I)> | 26.33 | 1.94 |
| Completeness [%] | 98.8 | 94 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 3350, MgCl2, TRIS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
