3CJX
Crystal structure of a protein of unknown function with a cupin-like fold (reut_b4571) from ralstonia eutropha jmp134 at 2.60 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537, 0.9798, 0.9796 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.210, 89.130, 212.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.604 - 2.600 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23700 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.653 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.604 | 29.604 | 2.690 |
High resolution limit [Å] | 2.600 | 5.570 | 2.600 |
Rmerge | 0.058 | 0.025 | 0.346 |
Number of reflections | 46886 | 8682 | 8230 |
<I/σ(I)> | 11.56 | 24.9 | 2.3 |
Completeness [%] | 98.0 | 94.8 | 95.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | NANODROP, 1.6M (NH4)2SO4, 0.1M Citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |