3LU6
Human serum albumin in complex with compound 1
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 | 2007-05-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.561, 59.868, 95.573 |
| Unit cell angles | 74.51, 86.57, 74.47 |
Refinement procedure
| Resolution | 55.640 - 2.700 |
| R-factor | 0.23758 |
| Rwork | 0.236 |
| R-free | 0.27458 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| 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] | 55.640 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 0.371 |
| Number of reflections | 31188 | |
| <I/σ(I)> | 2.3 | 1.9 |
| Completeness [%] | 94.2 | 94.5 |
| Redundancy | 1.9 | 1.9 |
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 |
