4O4A
2.75 Angstrom Crystal Structure of Putative Lipoprotein from Bacillus anthracis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 122.556, 122.556, 107.354 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.960 - 2.750 |
R-factor | 0.21137 |
Rwork | 0.209 |
R-free | 0.25278 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.558 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.092 | 0.543 |
Number of reflections | 21759 | |
<I/σ(I)> | 27.5 | 4.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.6 | 9.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | Protein: 7.2 mG/mL, 0.5 M Sodium chloride, 0.01 M Tris-HCL buffer pH 8.3; Screen: Classics II (F8), 0.2M Ammonium sulfate, 0.1M HEPES pH 7.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |