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 |