4F88
X-ray Crystal Structure of PlyC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-03 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.853, 117.423, 222.192 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.720 - 3.300 |
R-factor | 0.267 |
Rwork | 0.266 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4f87 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 103.700 | 3.480 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.100 | 0.658 |
Number of reflections | 40690 | |
Completeness [%] | 99.2 | 96.7 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.1 M Hepes, 12% PEG4000, 10% isopropanol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |