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 |