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) |