1E7A
Crystal structure of human serum albumin complexed with the general anesthetic propofol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 1999-10-15 |
Detector | ADSC QUANTUM |
Spacegroup name | P 1 |
Unit cell lengths | 55.400, 55.610, 120.500 |
Unit cell angles | 81.11, 90.57, 65.50 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.248 |
Rwork | 0.248 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ao6 |
RMSD bond length | 0.007 |
RMSD bond angle | 23.100 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.880 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.046 | 0.296 |
Number of reflections | 62870 | |
<I/σ(I)> | 7.6 | 2.2 |
Completeness [%] | 96.1 | 93.4 |
Redundancy | 1.9 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 | 4 * | pH 7.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 28-30 (%(w/v)) | |
2 | 1 | reservoir | potassium phosphate | 50 (mM) |