3W6H
Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Detector technology | CCD |
| Collection date | 2009-06-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.039, 65.280, 120.485 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.207 - 2.964 |
| R-factor | 0.228 |
| Rwork | 0.222 |
| R-free | 0.28330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 2.964 | 3.000 |
| Number of reflections | 10494 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 297 | 23 or 25% polyethylene glycol (PEG) 3350, 200mM NaCl, 100mM MES (pH 6.3), VAPOR DIFFUSION, HANGING DROP, temperature 297K |
