1XQ4
Crystal Structure of the Putative ApaA Protein from Bordetella pertussis, Northeast Structural Genomics Target BeR40
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97878 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.559, 100.256, 108.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.730 - 2.700 |
R-factor | 0.241 |
Rwork | 0.241 |
R-free | 0.28600 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.730 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.086 | 0.243 |
Number of reflections | 44550 | |
<I/σ(I)> | 14.2 | 5.3 |
Completeness [%] | 97.3 | |
Redundancy | 5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 10 mM Tris (pH 7.5), 14% PEG 8k, 50 mM KH2PO4, 25 mM Glycine, 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 277K |