7DL4
Crystal structure of human serum albumin and nitrosylruthenium complex adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.983, 38.494, 95.516 |
| Unit cell angles | 90.00, 105.53, 90.00 |
Refinement procedure
| Resolution | 35.539 - 2.400 |
| R-factor | 0.211 |
| Rwork | 0.208 |
| R-free | 0.26830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5giy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.955 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.101 | 0.061 | 0.719 |
| Rmeas | 0.117 | 0.072 | 0.854 |
| Rpim | 0.058 | 0.036 | 0.451 |
| Total number of observations | 101803 | ||
| Number of reflections | 25509 | 1336 | 1213 |
| <I/σ(I)> | 5 | ||
| Completeness [%] | 98.4 | 96 | 97.4 |
| Redundancy | 4 | 3.7 | 3.3 |
| CC(1/2) | 0.992 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 32% PEG3350, 50 mM pottasium phosphate buffer |
