4HNK
Crystal structure of an Enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 178.785, 105.853, 186.402 |
Unit cell angles | 90.00, 118.10, 90.00 |
Refinement procedure
Resolution | 45.542 - 2.900 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
Rmerge | 0.075 | 0.032 | 0.764 |
Number of reflections | 66514 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 96.7 | 96.2 | 87.8 |
Redundancy | 3.3 | 3.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | 0.25 M CaAcetate, pH 8.6, 7.5% PEG20K and 7.5% PEG MME500, VAPOR DIFFUSION, HANGING DROP, temperature 293K |