1XUQ
Crystal Structure of SodA-1 (BA4499) 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 | 60.881, 60.439, 61.981 |
Unit cell angles | 90.00, 106.30, 90.00 |
Refinement procedure
Resolution | 31.450 - 1.800 |
R-factor | 0.17203 |
Rwork | 0.169 |
R-free | 0.22822 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jr9 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.449 |
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 | 0.084 | 0.748 |
Number of reflections | 39919 | |
<I/σ(I)> | 16.3 | 1.5 |
Completeness [%] | 98.8 | 89.7 |
Redundancy | 3.9 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | PEG4000, Sodium Acetate trihydrate, TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |