1EN4
CRYSTAL STRUCTURE ANALYSIS OF THE E. COLI MANGANESE SUPEROXIDE DISMUTASE Q146H MUTANT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-08 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.766, 109.239, 180.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.000 |
| R-factor | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.19200 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.226 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.327 |
| Total number of observations | 400712 * | |
| Number of reflections | 65122 | |
| <I/σ(I)> | 19.8 | |
| Completeness [%] | 95.4 | 86 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% w/v PEG 6000, 0.05 M bicine, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Bicine | 0.1 (M) | pH8.0 |
| 2 | 1 | reservoir | PEG6000 | 20 (%(w/v)) | |
| 3 | 1 | drop | Bicine | 40 (mM) | |
| 4 | 1 | drop | PEG6000 | 8 (%(w/v)) | |
| 5 | 1 | drop | protein | 20 (mg/ml) |
