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 |
