3LU7
Human serum albumin in complex with compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-09 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.98010 |
Spacegroup name | P 1 |
Unit cell lengths | 58.541, 59.185, 95.603 |
Unit cell angles | 75.30, 87.86, 75.51 |
Refinement procedure
Resolution | 55.440 - 2.800 |
R-factor | 0.22771 |
Rwork | 0.225 |
R-free | 0.27583 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.120 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.450 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.100 | 0.546 |
Number of reflections | 29572 | |
<I/σ(I)> | 4.9 | 1.2 |
Completeness [%] | 92.9 | 90.3 |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | PEG, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |