1BS3
P.SHERMANII SOD(FE+3) FLUORIDE
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Collection date | 1997-09 |
Detector | SIEMENS |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.420, 85.280, 108.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.000 - 1.550 |
R-factor | 0.17 * |
Rwork | 0.174 |
R-free | 0.20800 * |
Starting model (for MR) | 1ar5 |
RMSD bond length | 0.005 |
RMSD bond angle | 21.400 * |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.700 | 1.620 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.036 * | |
Number of reflections | 45923 * | |
<I/σ(I)> | 18 | 7.6 |
Completeness [%] | 78.0 * | 67 |
Redundancy | 5.1 * | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.1 | 4 * | pH 6.1 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 50 (mg/ml) | |
2 | 1 | drop | ammonium sulfate | 2.15 (M) | |
3 | 1 | reservoir | potassium phosphate | 50 (mM) | |
4 | 1 | reservoir | ammonium sulfate |