6KM5
Human Carbonic Anhydrase II native 13 atm CO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.172, 41.320, 71.993 |
| Unit cell angles | 90.00, 104.07, 90.00 |
Refinement procedure
| Resolution | 29.070 - 1.151 |
| Rwork | 0.103 |
| R-free | 0.12880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yuk |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.455 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0124 2015/06/02) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.049 | 0.436 |
| Number of reflections | 84743 | 4182 |
| <I/σ(I)> | 33.05 | 4.78 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 1.3 M sodium citrate, 100 mM Tris-HCl |
