3DA2
X-ray structure of human carbonic anhydrase 13 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.00001 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.637, 45.138, 87.938 |
| Unit cell angles | 90.00, 116.28, 90.00 |
Refinement procedure
| Resolution | 43.000 - 2.050 |
| R-factor | 0.16224 |
| Rwork | 0.159 |
| R-free | 0.22063 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1AZM 1zh9 1flj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.523 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.520 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.096 | 0.621 |
| Number of reflections | 32583 | |
| <I/σ(I)> | 11 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 20% PEG 3350, 0.2M (NH4)2H(citrate), pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
