2Q3L
CRYSTAL STRUCTURE OF AN UNCHARACTERIZED PROTEIN FROM DUF3478 FAMILY WITH A SPOIIAA-LIKE FOLD (SHEW_3102) FROM SHEWANELLA LOIHICA PV-4 AT 2.25 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-14 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97926, 0.97895 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.387, 113.963, 130.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.653 - 2.250 |
R-factor | 0.184 |
Rwork | 0.181 |
R-free | 0.23900 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.756 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.653 | 28.653 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.067 | 0.033 | 0.467 |
Total number of observations | 1121 | 7445 | |
Number of reflections | 14575 | ||
<I/σ(I)> | 17.89 | 19 | 3.6 |
Completeness [%] | 99.0 | 95.6 | 100 |
Redundancy | 7.2 | 6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.33 | 277 | NANODROP, 0.2M Sodium chloride, 37.0% 2-methyl-2,4-pentanediol, 0.1M Tris-HCl pH 7.33, VAPOR DIFFUSION, SITTING DROP, temperature 277K |