4DBH
Crystal structure of Cg1458 with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9174 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.040, 67.240, 168.566 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.940 |
| R-factor | 0.17367 |
| Rwork | 0.171 |
| R-free | 0.22023 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 168.570 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.970 | 1.940 |
| Number of reflections | 38296 | ||
| Completeness [%] | 96.7 | 96.7 | 83.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 0.2M MgCl2, 0.1M Bis-Tris pH 6.0, 25% w/v Polyethylene Glycol 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
