1FLJ
CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-05-01 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.250, 44.730, 66.910 |
| Unit cell angles | 90.00, 99.73, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.800 |
| R-factor | 0.155 |
| Rwork | 0.155 |
| R-free | 0.21300 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.510 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 5.000 |
| High resolution limit [Å] | 1.800 |
| Rmerge | 0.054 * |
| Total number of observations | 44741 * |
| Number of reflections | 20193 |
| <I/σ(I)> | 5.4 |
| Completeness [%] | 90.0 |
| Redundancy | 2.216 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 3350, propanol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | propanol | 10 (%(v/v)) | |
| 3 | 1 | drop | PEG3350 | 15-20 (%(w/v)) | |
| 4 | 1 | drop | HEPES | 100 (mM) | |
| 5 | 1 | reservoir | propanol | 10 (%(v/v)) | |
| 6 | 1 | reservoir | PEG3350 | 15-20 (%(w/v)) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) |
