8EY5
Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.60394 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 185.966, 38.548, 93.409 |
| Unit cell angles | 90.00, 103.75, 90.00 |
Refinement procedure
| Resolution | 37.180 - 3.100 |
| R-factor | 0.2044 |
| Rwork | 0.202 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wuw |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.966 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 8.390 | 3.100 |
| Rmerge | 0.049 | 0.036 | 0.443 |
| Rmeas | 0.058 | 0.043 | 0.527 |
| Rpim | 0.031 | 0.023 | 0.282 |
| Total number of observations | 41552 | ||
| Number of reflections | 12191 | 677 | 609 |
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 98.1 | 99.6 | 99.5 |
| Redundancy | 3.4 | 3.3 | 3.4 |
| CC(1/2) | 0.993 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291.15 | 200 nL 22.5% PEG Smear Low, 10% isopropanol, 100 mM Tris, pH 7.4 + 200 nL 88 mg/mL albumin, saturated with myristic acid, 50 mM sodium chloride, 25 mM Tris, pH 7.4. 400 nL 45% PEG Smear Low, 20 mM cobalt (II) chloride added 6 hours prior to harvesting |
