1BE7
CLOSTRIDIUM PASTEURIANUM RUBREDOXIN C42S MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-07 |
| Detector | RIGAKU |
| Spacegroup name | H 3 |
| Unit cell lengths | 64.520, 64.520, 32.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| R-factor | 0.185 * |
| Rwork | 0.171 |
| R-free | 0.20100 |
| Structure solution method | OTHER OTHER |
| Starting model (for MR) | 5rxn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.068 | 0.141 |
| Total number of observations | 40888 * | |
| Number of reflections | 6061 | |
| <I/σ(I)> | 15 | 4.9 |
| Completeness [%] | 99.6 | 96.9 |
| Redundancy | 6.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4 | PROTEIN WAS CRYSTALLISED FROM 50-60% SATURATED AMMONIUM SULFATE IN SODIUM ACETATE BUFFER (50 MM) AT PH 4., pH 4.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.8 (mM) | |
| 2 | 1 | drop | ammonium sulfate | 25-30 (%) | |
| 3 | 1 | drop | sodium acetate | 50 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 50-60 (%) | |
| 5 | 1 | reservoir | sodium acetate | 50 (mM) |
