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 |
