4IX1
Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-15 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.824, 117.902, 166.324 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.800 |
| R-factor | 0.1939 |
| Rwork | 0.193 |
| R-free | 0.21950 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.757 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.092 | 0.031 | 0.966 |
| Number of reflections | 108628 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 98.2 | 89.5 | 99.7 |
| Redundancy | 3 | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M ammonium phosphate, 0.1 M Tris:HCl, pH 8.5, 50% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
