3A73
Crystal Structure Analysis of Human serum albumin complexed with delta 12-prostaglandin J2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 98 |
Detector technology | CCD |
Collection date | 2008-11-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 38.060, 92.047, 94.664 |
Unit cell angles | 74.80, 89.53, 80.21 |
Refinement procedure
Resolution | 35.000 - 2.190 |
R-factor | 0.23252 |
Rwork | 0.229 |
R-free | 0.29080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bj5 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.943 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.080 | 2.280 |
High resolution limit [Å] | 2.190 | 2.200 |
Rmerge | 0.072 | 0.113 |
Number of reflections | 62497 | |
<I/σ(I)> | 14.2 | 4496 |
Completeness [%] | 92.0 | 91.9 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 50mM phosphate buffer pH 6.5, 28-32% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 285K |