4HVN
Crystal structure of hypothetical protein with ketosteroid isomerase-like protein fold from Catenulispora acidiphila DSM 44928 in complex with Trimethylamine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.072, 61.070, 51.948 |
| Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
| Resolution | 29.780 - 1.950 |
| R-factor | 0.17874 |
| Rwork | 0.177 |
| R-free | 0.21813 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h3u |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.669 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.085 | |
| Number of reflections | 20052 | |
| <I/σ(I)> | 20.9 | 2.6 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
