3W6I
Crystal structure of 19F probe-labeled hCAI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.463, 69.614, 119.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.349 - 2.693 |
| R-factor | 0.2212 |
| Rwork | 0.219 |
| R-free | 0.26950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.688 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.693 | 2.700 |
| Rmerge | 0.376 | |
| Number of reflections | 14504 | |
| Completeness [%] | 96.4 | 90 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 297 | 23-25% PEG 3350, 200mM NaCl, 100mM MES (pH 6.3)., VAPOR DIFFUSION, HANGING DROP, temperature 297K |
