1OTK
Structural Genomics, Protein paaC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-17 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.216, 95.707, 127.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.820 - 2.000 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.22900 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.113 | 0.520 |
| Number of reflections | 49742 | |
| <I/σ(I)> | 33.1 | 5.84 |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 10.76 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 11% iso-Prop., 0.1 M Nacacod., 0.2M NaCitr., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
