3FFP
X ray structure of the complex between carbonic anhydrase II and LC inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCED ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-09 |
| Detector | OXFORD SAPPHIRE CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.180, 41.430, 72.240 |
| Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
| Resolution | 11.830 - 1.810 |
| R-factor | 0.18948 |
| Rwork | 0.187 |
| R-free | 0.24018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.595 |
| Data reduction software | CrysalisPro (Oxford Diffraction2006) |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.870 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Number of reflections | 22187 | |
| <I/σ(I)> | 20.9 | 3.08 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100mM Tris-HCl PH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
