6OCL
Crystal Structure of Leporine Serum Albumin in Complex with Suprofen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.310, 84.680, 108.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.670 - 2.350 |
| R-factor | 0.19067 |
| Rwork | 0.189 |
| R-free | 0.24561 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f5v |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.099 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (VERSION Nov 1, 2016) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.450 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.050 | 0.910 |
| Number of reflections | 28848 | 3300 |
| <I/σ(I)> | 23.2 | 2 |
| Completeness [%] | 99.2 | 98.6 |
| Redundancy | 4.88 | 4.94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 8% PPG400, 0.2 M ammonium acetate, 16% PEG 3350, 0.1 M TRIS. |
