3KUE
Crystal structure of E. coli HPPK(E77A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-06-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.92000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.150, 46.810, 43.360 |
Unit cell angles | 90.00, 110.55, 90.00 |
Refinement procedure
Resolution | 19.252 - 1.538 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.21900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1kbr |
RMSD bond length | 0.009 |
RMSD bond angle | 1.208 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.600 |
High resolution limit [Å] | 1.538 | 1.538 |
Rmerge | 0.053 | 0.352 |
Number of reflections | 19896 | |
<I/σ(I)> | 18 | 3.8 |
Completeness [%] | 98.1 | 94.7 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG 4000, Sodium acetate, Glycerol, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |