3HCX
Crystal structure of E. coli HPPK(N10A)
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 | 1999-11-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.91700 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.330, 51.740, 41.390 |
Unit cell angles | 90.00, 109.38, 90.00 |
Refinement procedure
Resolution | 19.524 - 1.750 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.22000 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1hka |
RMSD bond length | 0.007 |
RMSD bond angle | 1.054 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.047 | 0.603 |
Number of reflections | 14669 | |
<I/σ(I)> | 24.571 | 1.92 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 3.6 | 3.3 |
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 |