3ES1
Crystal structure of protein with a cupin-like fold and unknown function (YP_001165807.1) from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.91 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.92522,0.97932,0.97879 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 78.330, 78.330, 107.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.665 - 1.910 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20500 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.571 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.665 | 28.665 | 1.980 |
High resolution limit [Å] | 1.910 | 4.100 | 1.910 |
Rmerge | 0.147 | 0.011 | 0.011 |
Number of reflections | 15326 | 2872 | 2830 |
<I/σ(I)> | 13.43 | 44 | 2.1 |
Completeness [%] | 98.0 | 98.2 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0.2M NaThioCyanate, 20.0% PEG-3350, No Buffer pH 6.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |