1ZXC
Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-05-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.120, 59.170, 195.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.280 |
R-factor | 0.21584 |
Rwork | 0.210 |
R-free | 0.28506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bkc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.392 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 25216 | |
Completeness [%] | 86.8 | 86.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 292 | PEG 4000, isopropanol, NaCitrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |