3O84
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2009-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9782 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.534, 143.312, 148.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.800 - 2.100 |
| R-factor | 0.1865 |
| Rwork | 0.185 |
| R-free | 0.21070 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3o83 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.182 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 82475 | |
| <I/σ(I)> | 10.8 | 1.8 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 4 | 3.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 5-15% PEG 8000, 5% MPD, 250-600 mM CaCl2, 50 mM BTP , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
