1U2X
Crystal Structure of a Hypothetical ADP-dependent Phosphofructokinase from Pyrococcus horikoshii OT3
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | SBC-3 |
Wavelength(s) | 0.96396, 0.97918, 0.97943 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.065, 99.932, 82.581 |
Unit cell angles | 90.00, 110.38, 90.00 |
Refinement procedure
Resolution | 39.840 - 2.000 |
R-factor | 0.17678 |
Rwork | 0.174 |
R-free | 0.22592 |
Structure solution method | MAD |
RMSD bond length | 0.027 |
RMSD bond angle | 1.985 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.445 |
Number of reflections | 69682 | |
<I/σ(I)> | 21 | 3.57 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 6.6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 22% PEG4000, 0.1M Tris-HCl, 0.2M LiSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |