1J9B
ARSENATE REDUCTASE+0.4M ARSENITE FROM E. COLI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2000-01-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 86.613, 86.613, 116.672 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 1.260 |
R-factor | 0.128 * |
Rwork | 0.134 |
R-free | 0.16600 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | NATIVE STRUCTURE |
RMSD bond length | 0.013 |
RMSD bond angle | 0.032 |
Data reduction software | XDS |
Data scaling software | X-GEN |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.330 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.059 | 0.684 |
Total number of observations | 363771 * | |
Number of reflections | 51735 * | |
<I/σ(I)> | 23.6 | 1.4 |
Completeness [%] | 90.1 * | 34.4 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 5 * | CESIUM SULFATE, ACETATE, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | 1.2 (M) | ||
2 | 1 | drop | ammonium acetate | 100 (mM) | pH4.8 |
3 | 1 | drop | protein | 30 (mg/ml) |