4OHB
Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens
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 |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 45.426, 101.808, 81.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.250 - 2.400 |
R-factor | 0.1954 |
Rwork | 0.192 |
R-free | 0.25700 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.761 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.125 | 0.069 | 0.460 |
Number of reflections | 7108 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 92.1 | 94.4 | 98.7 |
Redundancy | 4.4 | 4.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 16% PEG 4000, 0.08M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |