3FW3
Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2003-12-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.991, 70.826, 71.774 |
| Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
| Resolution | 29.600 - 1.720 |
| R-factor | 0.17716 |
| Rwork | 0.176 |
| R-free | 0.20637 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1znc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.566 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.600 | 1.780 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.058 | 0.380 |
| Number of reflections | 52706 | |
| <I/σ(I)> | 18.7 | 2 |
| Completeness [%] | 99.0 | 98.3 |
| Redundancy | 2.81 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 277 | 25% PEG 3350, 0.1M Na Acetate, 0.20M Ammonium sulfate, 3% glucose., pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
