6S9Z
Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.354, 41.280, 72.421 |
| Unit cell angles | 90.00, 104.65, 90.00 |
Refinement procedure
| Resolution | 35.030 - 0.950 |
| R-factor | 0.1201 |
| Rwork | 0.119 |
| R-free | 0.13650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.974 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.280 | 1.010 |
| High resolution limit [Å] | 0.950 | 0.950 |
| Number of reflections | 141261 | 19435 |
| <I/σ(I)> | 10.69 | 2.3 |
| Completeness [%] | 92.7 | 79 |
| Redundancy | 3.83 | 3.75 |
| CC(1/2) | 0.998 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7 M |
