1IAU
HUMAN GRANZYME B IN COMPLEX WITH AC-IEPD-CHO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.873, 75.081, 80.261 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.000 |
| Rwork | 0.239 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CATHEPSIN G (PDB ENTRY 1CGH) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.032 | 0.320 |
| Total number of observations | 163991 * | |
| Number of reflections | 19956 | |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 96.6 | 88.8 |
| Redundancy | 8.2 | 3.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | drop consists of equal amounts of protein and precipitant solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12.2 (mg/ml) | |
| 10 | 1 | reservoir | MES | 50 (mM) | |
| 11 | 1 | reservoir | 5 (mM) | ||
| 12 | 1 | reservoir | 6 (mM) | ||
| 2 | 1 | drop | Tris-HCl | 20 (mm) | |
| 3 | 1 | drop | 200 (mM) | ||
| 4 | 1 | drop | mPEG550 | 25 (%(v/v)) | precipitant |
| 5 | 1 | drop | MES | 0.1 (M) | precipitant |
| 6 | 1 | drop | 10 (mM) | precipitant | |
| 7 | 1 | drop | 12 (mM) | precipitant | |
| 8 | 1 | reservoir | PEG3350 | 24 (%(w/v)) | |
| 9 | 1 | reservoir | mPEG550 | 12.8 (%(v/v)) |
