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 |