4TQ6
Structure of a UbiA homolog from Archaeoglobus fulgidus bound to Cd2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97920 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.938, 89.871, 341.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.336 - 3.068 |
| R-factor | 0.2669 |
| Rwork | 0.265 |
| R-free | 0.30100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tq5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.474 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.336 | 42.336 | 3.230 |
| High resolution limit [Å] | 3.067 | 9.700 | 3.067 |
| Rmerge | 0.013 | 0.643 | |
| Rmeas | 0.068 | ||
| Rpim | 0.037 | 0.013 | 0.446 |
| Total number of observations | 49271 | 1390 | 7288 |
| Number of reflections | 15560 | ||
| <I/σ(I)> | 15.8 | 47.8 | 2.4 |
| Completeness [%] | 98.9 | 85.6 | 99.3 |
| Redundancy | 3.2 | 3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 298 | 30% PEG 550 MME, 100 mM MES, 100 mM CdCl2, 5 mM MgCl2 |
