2OJL
Crystal structure of Q7WAF1_BORPA from Bordetella parapertussis. Northeast Structural Genomics target BpR68.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97917 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 65.671, 65.671, 76.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.21800 |
Structure solution method | SAD |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.090 | 0.056 | 0.348 |
Number of reflections | 18616 | ||
<I/σ(I)> | 12.8 | ||
Completeness [%] | 99.0 | 99.6 | 99.6 |
Redundancy | 10.7 | 10.8 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH UNDER OIL | 293 | 0.1M NH4NO3, 0.1M Na citrate pH 4.0, 20% PEG 1000. Drops: 0.5 microliter protein plus 1 microliter mother liquid, mineral oil, MICROBATCH UNDER OIL, temperature 293K |