4DI6
crystal structure of nucleoside-diphosphate kinase from Borrelia burgdorferi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978560 |
| Spacegroup name | P 63 |
| Unit cell lengths | 135.260, 135.260, 126.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.220 - 2.400 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.259 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.109 | 0.540 |
| Number of reflections | 50359 | |
| <I/σ(I)> | 15.33 | 4.2 |
| Completeness [%] | 97.9 | 99.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | EBS INTERNAL TRACKING NUMBER 8.5, 20% PEG 3500. BOBUA.00664.A.A1 PS00257 AT 17 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K, pH 8.50 |
