3EPV
X-ray Structure of the Metal-sensor CnrX in both the Apo- and Copper-bound Forms
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97961 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.940, 77.890, 93.200 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.742 |
| R-factor | 0.1989 |
| Rwork | 0.196 |
| R-free | 0.25894 |
| Structure solution method | SAD |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.393 |
| Data scaling software | SCALA (3.2.29) |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.600 | 46.600 | 1.840 |
| High resolution limit [Å] | 1.742 | 5.510 | 1.740 |
| Rmerge | 0.037 | 0.024 | 0.263 |
| Total number of observations | 7874 | 37970 | |
| Number of reflections | 45563 | ||
| <I/σ(I)> | 14.152 | 25.4 | 3 |
| Completeness [%] | 97.7 | 87.2 | 93.8 |
| Redundancy | 6.3 | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 2000 MME, 10% Glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
