1I6P
CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-08 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 68.535, 68.535, 85.877 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.210 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i6o |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.309 |
| Number of reflections | 13974 | |
| <I/σ(I)> | 20.4 | 4.4 |
| Completeness [%] | 96.7 | 96.9 |
| Redundancy | 6.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 * | 20 * | ammonium sulfate, MES pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 2 | 1 | drop | protein | 12 (mg/ml) | |
| 3 | 1 | drop | Tris-HCl | 20 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | reservoir | ammonium sulfate | 1.6-1.8 (M) | |
| 6 | 1 | reservoir | MES | 0.1 (M) |
