4Y33
Crystal of NO66 in complex with Ni(II)and N-oxalylglycine (NOG)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.586, 150.878, 106.902 |
| Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
| Resolution | 38.890 - 2.700 |
| R-factor | 0.23499 |
| Rwork | 0.233 |
| R-free | 0.27405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.690 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.077 | 0.496 |
| Number of reflections | 71939 | |
| <I/σ(I)> | 19.1 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 15%(v/v) ethanol, imidazole pH8.0, 0.2M magnesium chloride |
