1AVN
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-11 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.610, 41.690, 72.780 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.154 * |
| Rwork | 0.154 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.056 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | CCP4 |
| Refinement software | CCP4 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.900 | 2.250 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 * | 0.064 |
| Total number of observations | 49849 * | |
| Number of reflections | 14777 | |
| <I/σ(I)> | 33.61 | 10.7 |
| Completeness [%] | 81.0 | 73 |
| Redundancy | 3.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.7 | 4 * | HCA II CRYSTALLIZED FROM 2.3 M AMMONIUM SULFATE, 50MM TRIS-HCL, 3MM SODIUM AZIDE, PH 7.7 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 3 (mM) | ||
| 4 | 1 | drop | 0.5 (mM) | or sodium 4-(hydroxymercury) benzoate | |
| 5 | 1 | drop | ammonium sulfate | 1.65 (M) | |
| 6 | 1 | reservoir | ammonium sulfate | 2.3 (M) | |
| 7 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 8 | 1 | reservoir | 3 (mM) | ||
| 9 | 1 | reservoir | organomercury compound |
