1SQC
SQUALENE-HOPENE-CYCLASE FROM ALICYCLOBACILLUS ACIDOCALDARIUS
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1995-05 |
Detector | SIEMENS |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 140.700, 140.700, 81.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.850 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.24300 |
Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 21.400 * |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.056 * | 0.360 * |
Total number of observations | 53288 * | |
Number of reflections | 18914 | |
<I/σ(I)> | 11.9 | 2 |
Completeness [%] | 86.0 | 49 |
Redundancy | 2.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | HANGING DROP CONTAINING: 8 MG/ML PROTEIN, 0.3% N-OCTYLTETRAOXYETHYLENE IN 50 MM SODIUM CITRATE, PH 4.8 WITH A RESERVOIR SOLUTION CONTAINING 100 MM SODIUM CITRATE, PH 4.8., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | C8E4(n-octyl-tetraoxyethylene) | 0.3 (%(w/v)) | |
3 | 1 | drop | sodium citrate | 50 (mM) | |
4 | 1 | reservoir | sodium citrate | 100 (mM) |