3HD2
Crystal structure of E. coli HPPK(Q50A) in complex with MgAMPCPP and pterin
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 | 1999-10-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97948 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 80.480, 52.870, 36.700 |
Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
Resolution | 23.959 - 1.100 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.18800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1eqm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.039 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.095 | 0.730 |
Number of reflections | 56452 | |
<I/σ(I)> | 16.946 | 1.83 |
Completeness [%] | 93.3 | 88.7 |
Redundancy | 5.25 | 3.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | PEG 4000, Ammonium acetate, Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |