3N8B
Crystal Structure of Borrelia burgdorferi Pur-alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-05-20 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 48.710, 58.330, 141.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.390 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.23200 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.169 |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.946 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.097 | 0.420 |
| Number of reflections | 30605 | |
| <I/σ(I)> | 12.9 | 5.3 |
| Completeness [%] | 98.7 | 95.5 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 277 | 125 mM NaCl, 10 mM Hepes pH 8.0, 2.8 M sodium formate, equimolar addition of DNA oligonucleotide 5'AGG GTT AGG GTT-3' (not visible in structure), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
