4DZ6
Transition state mimic of nucleoside-diphosphate kinase from borrelia burgdorferi with bound vanadate and adp
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 | 2012-02-09 |
Detector | MARCCD 300 |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.650, 81.000, 181.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 99.470 - 2.200 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4di6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.406 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.470 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.053 | 0.311 |
Number of reflections | 87269 | |
<I/σ(I)> | 17.32 | 3.6 |
Completeness [%] | 99.6 | 99.47 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | EBS INTERNAL TRACKING NUMBER ACTIVATED SODIUM ORTHOVANADATE, 2 MM ADP, BOBUA.00664.A.A1_ PS00257 AT 17 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K |