4XZ5
Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2 gammaproteobacterium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9177 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.059, 102.228, 105.021 |
| Unit cell angles | 90.00, 127.26, 90.00 |
Refinement procedure
| Resolution | 19.912 - 2.596 |
| R-factor | 0.1747 |
| Rwork | 0.171 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.303 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.570 | 2.600 |
| Rmerge | 0.100 | 0.070 | 0.405 |
| Total number of observations | 120808 | ||
| Number of reflections | 32793 | ||
| <I/σ(I)> | 9.4 | ||
| Completeness [%] | 99.8 | 100 | 99.1 |
| Redundancy | 3.7 | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M sodium acetate trihydrate pH 4.6, 16% w/v PEG 3350 |
