3HSJ
Crystal structure of E. coli HPPK(N55A)
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 | 1999-07-24 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.190, 51.040, 41.550 |
Unit cell angles | 90.00, 106.52, 90.00 |
Refinement procedure
Resolution | 15.700 - 1.180 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hka |
RMSD bond length | 0.006 |
RMSD bond angle | 1.082 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.700 | 1.220 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.053 | 0.661 |
Number of reflections | 44832 | |
<I/σ(I)> | 22.37 | 1.7 |
Completeness [%] | 93.7 | 84.1 |
Redundancy | 4.4 | 4 |
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 |