4KNW
The crystal structure of human HDHD4 IN COMPLEX WITH MAGNESIUM AND THE PHOSPHATE MIMETIC VANADATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.777, 102.560, 186.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.128 - 2.699 |
R-factor | 0.2553 |
Rwork | 0.254 |
R-free | 0.29590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4knv |
RMSD bond length | 0.005 |
RMSD bond angle | 0.716 |
Data reduction software | HKL-2000 ((DENZO)) |
Data scaling software | HKL-2000 ((SCALEPACK)) |
Phasing software | AMoRE |
Refinement software | PHENIX (dev_1396) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.699 | 2.700 |
Rmerge | 0.058 | 0.317 |
Number of reflections | 25337 | |
<I/σ(I)> | 18.3 | 3.2 |
Completeness [%] | 98.9 | 98.1 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 500 mM postassium formate, 100 mM glycyl-glycine, pH 8.5, 20% (w/v) PEG 1500, 0.01%(w/v) N-dodecyl-b-D-maltoside, vapor diffusion, hanging drop, temperature 277K |