3BWS
Crystal structure of the leptospiral antigen Lp49
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.953, 86.865, 132.418 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.990 |
| R-factor | 0.18775 |
| Rwork | 0.185 |
| R-free | 0.23740 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.256 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.450 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.116 | 0.379 |
| Number of reflections | 60735 | |
| <I/σ(I)> | 19.3 | 5.3 |
| Completeness [%] | 96.3 | 93.9 |
| Redundancy | 11.8 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 291 | 0.2 M LiSO4, 15 % PEG 4000, 0.1 M Tris-HCl, microseeding, pH 8.5, VAPOR DIFFUSION, temperature 291K |
