4JK4
Crystal Structure of Bovine Serum Albumin in complex with 3,5-diiodosalicylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 215.410, 44.800, 146.900 |
| Unit cell angles | 90.00, 115.77, 90.00 |
Refinement procedure
| Resolution | 36.528 - 2.653 |
| R-factor | 0.1906 |
| Rwork | 0.188 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f5s |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.951 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.068 | 0.693 |
| Number of reflections | 36876 | |
| <I/σ(I)> | 14.47 | 2.56 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 22% MMEPEG 5000, 0.2M Calcium acetate, 0.1M MES 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
