6T4P
Human Carbonic anhydrase II bound by napthalene-1-sulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-19 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 0.8150 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.072, 41.159, 71.704 |
| Unit cell angles | 90.00, 104.08, 90.00 |
Refinement procedure
| Resolution | 26.570 - 1.750 |
| R-factor | 0.1652 |
| Rwork | 0.162 |
| R-free | 0.19930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ht0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.849 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.960 | 31.960 | 1.840 |
| High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
| Rmerge | 0.071 | 0.066 | 0.115 |
| Rmeas | 0.081 | 0.076 | 0.140 |
| Rpim | 0.031 | 0.034 | 0.058 |
| Total number of observations | 163532 | 3578 | 19108 |
| Number of reflections | 23997 | 681 | 3508 |
| <I/σ(I)> | 23.3 | 31.4 | 8.6 |
| Completeness [%] | 98.9 | 83.2 | 99.6 |
| Redundancy | 6.8 | 5.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Crystallization buffer was 0.1M sodium BICINE, pH 9, and 2M sodium malonate pH 7 made from 1M sodium BICINE and 3.4M sodium malonate |
