7H6G
THE 1.21 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH N-[2-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide
This is a non-PDB format compatible entry.
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 | 2006-05-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.110, 74.450, 60.650 |
| Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
| Resolution | 60.630 - 1.210 |
| R-factor | 0.15797 |
| Rwork | 0.157 |
| R-free | 0.18106 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.538 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.630 | 60.630 | 1.280 |
| High resolution limit [Å] | 1.210 | 4.300 | 1.210 |
| Rmerge | 0.072 | 0.063 | 0.378 |
| Rmeas | 0.078 | 0.071 | 0.432 |
| Total number of observations | 749223 | ||
| Number of reflections | 117974 | 2839 | 12306 |
| <I/σ(I)> | 16.66 | 21.84 | 4.15 |
| Completeness [%] | 88.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 0.2 M LiSO4 (Salt), 25 %w/v PEG3350 (Precipitant), 0.1 M HEPES 7.5 pH (Buffer), Protein was at 17 mg/mL. |
