3F7U
Crystal Structure of soluble domain of CA4 in complex with small molecule.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2005-01-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.886, 123.830, 152.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.450 - 2.000 |
| R-factor | 0.21415 |
| Rwork | 0.212 |
| R-free | 0.26356 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | Unpublished in-house CA4 crystal structure. |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.450 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.470 |
| Number of reflections | 75487 | |
| <I/σ(I)> | 14.1 | 2.21 |
| Completeness [%] | 90.4 | 88.6 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 286 | 22% PEG 3350, 0.1M Na Acetate, 0.2M Ammonium sulfate, 5mM DTT, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 286K |
