1UGG
HUMAN CARBONIC ANHYDRASE II[HCAII] (E.C.4.2.1.1) MUTANT WITH ALA 65 REPLACED BY SER (A65S)-ORTHORHOMBIC FORM
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-17 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.500, 72.700, 75.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.500 - 2.200 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CAII A65S-P21 MUTANT (SCOLNICK & CHRISTIAN 1996 IN PRESS) |
| RMSD bond length | 0.010 |
| RMSD bond angle | 25.900 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.900 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.091 * | |
| Total number of observations | 27183 * | |
| Number of reflections | 11298 | |
| <I/σ(I)> | 5.9 | 2.5 |
| Completeness [%] | 92.7 | 88 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 4.7 | 50MM TRIS-HCL, PH=8.0, 1.95 - 3.9M NH4SO4, pH 4.7 |
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) |
