3VVV
Skich domain of NDP52
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Wavelength(s) | 0.9395 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.610, 37.460, 90.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.266 - 1.350 |
R-factor | 0.1562 |
Rwork | 0.155 |
R-free | 0.18910 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.272 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | PHENIX (dev_723) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 26.180 | 26.180 | 1.420 |
High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
Rmerge | 0.023 | 0.559 | |
Number of reflections | 27862 | ||
<I/σ(I)> | 28.3 | 2.8 | |
Completeness [%] | 99.3 | 93.8 | 99.9 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 24% PEG4000, 0.1M Tris , pH 8.5, VAPOR DIFFUSION, temperature 293K |