3NCV
NgoL
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97871 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.500, 62.100, 92.100 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 44.440 - 2.400 |
| R-factor | 0.22085 |
| Rwork | 0.216 |
| R-free | 0.27207 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.881 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.041 | 0.426 |
| Number of reflections | 19709 | |
| <I/σ(I)> | 24.9 | 2.1 |
| Completeness [%] | 98.2 | 94.2 |
| Redundancy | 3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 16% Peg8K, 0.2M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
