3KUH
Crystal structure of E. coli HPPK(H115A) in complex with AMPCPP and HP
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 | 2000-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.05517 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.720, 38.340, 57.900 |
Unit cell angles | 90.00, 116.90, 90.00 |
Refinement procedure
Resolution | 27.120 - 1.350 |
R-factor | 0.13 |
Rwork | 0.128 |
R-free | 0.17600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1q0n |
RMSD bond length | 0.005 |
RMSD bond angle | 1.020 |
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 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.089 | 0.545 |
Number of reflections | 31767 | |
<I/σ(I)> | 15 | 2.2 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Sodium acetate, Ammonium acetate, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |