6SAC
N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.374, 41.286, 72.281 |
| Unit cell angles | 90.00, 104.82, 90.00 |
Refinement procedure
| Resolution | 31.950 - 1.020 |
| R-factor | 0.1268 |
| Rwork | 0.126 |
| R-free | 0.14180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.066 |
| 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] | 40.964 | 1.080 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Number of reflections | 121056 | 19033 |
| <I/σ(I)> | 9.99 | 2.15 |
| Completeness [%] | 98.3 | 96 |
| Redundancy | 2.72 | 2.53 |
| CC(1/2) | 0.998 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7 Mte, Tris 0.1 M, saturated with para-Chloromercuribenzoic acid |
