2XZZ
Crystal structure of the human transglutaminase 1 beta-barrel domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-28 |
| Detector | ADSC CCD |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 115.740, 115.740, 115.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.290 - 2.300 |
| R-factor | 0.22118 |
| Rwork | 0.219 |
| R-free | 0.26688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRUES 1EOX 1fie 1ggy 1G0D AND 1QRK IN AN ENSEMBLE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.829 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.290 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.630 |
| Number of reflections | 6155 | |
| <I/σ(I)> | 21 | 4.1 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 10.8 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.7 M (NH4)2SO4, 1% PEG3350, 0.1 M BIS-TRIS (PH 5.5) |
