3NM7
Crystal Structure of Borrelia burgdorferi Pur-alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9724 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.790, 57.750, 142.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.110 - 2.200 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.26080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n8b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.210 |
| Rmerge | 0.162 | 0.695 |
| Number of reflections | 20614 | |
| <I/σ(I)> | 14.99 | 2.48 |
| Completeness [%] | 99.0 | 97.6 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 125 mM NaCl, 100 mM Hepes pH 7.2, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
