1KV3
HUMAN TISSUE TRANSGLUTAMINASE IN GDP BOUND FORM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 132.479, 168.797, 238.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.790 - 2.800 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | factor XIIIa PDB entry 1GGU |
RMSD bond length | 0.013 |
RMSD bond angle | 26.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.800 * | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.085 | 0.470 |
Total number of observations | 1141553 * | |
Number of reflections | 124870 | |
Completeness [%] | 94.6 | 88.8 |
Redundancy | 4.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 * | 277 | 50 mM MES, pH 6.6, 200 mM NaCl, 50 mM MgCl2, 6-8% PEG3350 and 5 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 4K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
10 | 1 | reservoir | dithiothreitol | 5 (mM) | |
2 | 1 | drop | HEPES | 20 (mM) | pH7.0 |
3 | 1 | drop | EDTA/EGTA | 1 (mM) | |
4 | 1 | drop | dithiothreitol | 5 (mM) | |
5 | 1 | drop | glycerol | 20 (%(v/v)) | |
6 | 1 | reservoir | MES | 50 (mM) | pH6.6 |
7 | 1 | reservoir | 200 (mM) | ||
8 | 1 | reservoir | 50 (mM) | ||
9 | 1 | reservoir | PEG3350 | 6-8 (%) |