4CWD
CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-18 |
| Detector | RIGAKU SATURN 944 PLUS |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 106.518, 106.518, 205.347 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.826 - 1.899 |
| R-factor | 0.1696 |
| Rwork | 0.167 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ms5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.959 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.830 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.170 | |
| Number of reflections | 35472 | |
| <I/σ(I)> | 11.8 | 1.43 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.3 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2M AMMONIUM CITRATE, 20% PEG 3350, 6% DIAMINE HEXAN, 10MM ZNSO4, PH 7.0, 1MM 4-CARBOXY-1,1-DIMETHYLPIPERIDIN-1-IUM |
