3KWA
Polyamines inhibit carbonic anhydrases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-27 |
| Detector | OXFORD SAPPHIRE CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.430, 42.160, 72.250 |
| Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
| Resolution | 12.090 - 2.000 |
| R-factor | 0.23607 |
| Rwork | 0.233 |
| R-free | 0.28580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ca2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.722 |
| Data reduction software | CrysalisPro (Oxford Diffraction2006) |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Total number of observations | 65214 | |
| Number of reflections | 16497 | |
| <I/σ(I)> | 4.48 | 1.25 |
| Completeness [%] | 99.0 | |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 50mM Tris-HCl pH 7.7-7.8, 2mM sodium 4-(hydroxymercury)benzoate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
