3HSZ
Crystal structure of E. coli HPPK(F123A)
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 | 2000-11-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.00188 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.150, 52.060, 41.390 |
Unit cell angles | 90.00, 110.54, 90.00 |
Refinement procedure
Resolution | 21.960 - 1.400 |
R-factor | 0.152 |
Rwork | 0.150 |
R-free | 0.18900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1hka |
RMSD bond length | 0.004 |
RMSD bond angle | 0.918 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.960 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.049 | 0.566 |
Number of reflections | 28222 | |
<I/σ(I)> | 20.047 | 1.9 |
Completeness [%] | 99.3 | 97.6 |
Redundancy | 3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 292 | PEG 4000, Sodium acetate, Magnesium chloride, Glycerol, Tris-HCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K |