3LU8
Human serum albumin in complex with compound 3
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 | 2007-04-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91990 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.779, 59.031, 96.177 |
| Unit cell angles | 75.42, 88.06, 76.91 |
Refinement procedure
| Resolution | 21.740 - 2.600 |
| R-factor | 0.2461 |
| Rwork | 0.245 |
| R-free | 0.26633 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.170 |
| 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] | 93.250 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.277 |
| Number of reflections | 37486 | |
| <I/σ(I)> | 7.5 | 2.2 |
| Completeness [%] | 90.1 | 91.7 |
| Redundancy | 1.8 | 1.7 |
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 |
