1XKN
Crystal Structure of the Putative Peptidyl-arginine Deiminase from Chlorobium tepidum, NESG Target CtR21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.118, 82.372, 85.719 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.620 - 1.600 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.19600 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.620 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.083 | 0.264 |
| Number of reflections | 83239 | |
| <I/σ(I)> | 25.5 | 8.2 |
| Completeness [%] | 93.8 | 99.7 |
| Redundancy | 7.75 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100 mM Na3Citrate (pH 5.6), 18% PEG8K, 50 mM KH2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
