1NIJ
YJIA PROTEIN
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0093, 0.9794, 0.9796, 0.9649 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.830, 66.520, 56.150 |
Unit cell angles | 90.00, 114.96, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.000 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.23200 * |
Structure solution method | MAD |
RMSD bond length | 0.019 * |
RMSD bond angle | 2.100 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.034 * | 0.337 |
Number of reflections | 21164 * | |
<I/σ(I)> | 16.1 | 2.2 |
Completeness [%] | 98.5 * | 92.8 |
Redundancy | 2.3 * | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 1M Lithium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
2 | 1 | reservoir | lithium sulfate | 1 (M) |