1UGD
HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-06 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.700, 41.700, 73.000 |
| Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
| Resolution | 6.500 - 2.000 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| R-free | 0.25500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | NATIVE CAII (HAKANSSON ET AL. 1992) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.500 * |
| Data reduction software | MOSFLM |
| Data scaling software | Agrovata |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.200 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.084 * | |
| Total number of observations | 40095 * | |
| Number of reflections | 16488 * | |
| <I/σ(I)> | 6.1 | 2.8 |
| Completeness [%] | 96.7 | 77.3 |
| Redundancy | 2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 | 50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | ||
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 1.95-3.9 (M) | |
| 4 | 1 | reservoir | Tris-HCl | 50 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 1.95-3.9 (M) |
