4Q4U
TvNiR in complex with sulfite, low dose data set
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934 |
Spacegroup name | P 21 3 |
Unit cell lengths | 195.140, 195.140, 195.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.330 - 1.620 |
R-factor | 0.15852 |
Rwork | 0.158 |
R-free | 0.17127 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.493 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.480 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.065 | 0.490 |
Number of reflections | 304733 | |
<I/σ(I)> | 13.42 | 2.37 |
Completeness [%] | 98.1 | 90 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 278 | 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic, pH 5.6, 30% v/v 2-methil-2,4-pentanediol, 0.05 M sodium sulfite, VAPOR DIFFUSION, HANGING DROP, temperature 278K |