5OSW
Structure of caprine 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 | 2014-09-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.420, 66.060, 213.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.780 |
| R-factor | 0.17995 |
| Rwork | 0.179 |
| R-free | 0.24075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ori |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.926 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.059 | 0.951 |
| Number of reflections | 57982 | 8312 |
| <I/σ(I)> | 20.16 | 2.3 |
| Completeness [%] | 98.7 | 95.4 |
| Redundancy | 7.12 | 6.65 |
| CC(1/2) | 0.999 | 0.634 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 283 | Jeffamine ED2001, Citric buffer pH 5, 0.01M BaCl2 |
