1T75
Crystal structure of Escherichia coli beta carbonic anhydrase
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] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 110.447, 110.447, 162.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 91.290 - 2.500 |
| R-factor | 0.19841 |
| Rwork | 0.196 |
| R-free | 0.24569 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.388 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 0.680 |
| Number of reflections | 32980 | |
| <I/σ(I)> | 18.6 | 2.44 |
| Completeness [%] | 89.1 | 88 |
| Redundancy | 15 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | peg 3000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
