1H9Z
Human Serum Albumin Complexed With Myristic Acid and the R-(+) enantiomer of warfarin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2000-07-15 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 187.445, 38.842, 95.884 |
Unit cell angles | 90.00, 105.59, 90.00 |
Refinement procedure
Resolution | 29.450 - 2.500 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e7g |
RMSD bond length | 0.007 |
RMSD bond angle | 20.200 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.065 | 0.314 |
Number of reflections | 23090 | |
<I/σ(I)> | 4.4 | 1.8 |
Completeness [%] | 98.4 | 98.4 |
Redundancy | 1.9 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 * | Curry, S., (1998) Nat. Struct. Biol., 5, 827. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 100 (mg/ml) | |
2 | 1 | reservoir | PEG3350 | 25-30 (%(w/v)) | |
3 | 1 | reservoir | potassium phosphate | 50 (mM) | pH7.5 |