3OHE
Crystal structure of a Histidine triad protein (Maqu_1709) from Marinobacter aquaeolei VT8 at 1.20 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 | 2009-11-05 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97954,0.97936 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.024, 80.485, 99.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.426 - 1.200 |
R-factor | 0.1294 |
Rwork | 0.128 |
R-free | 0.15350 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.575 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.426 | 27.426 | 1.240 |
High resolution limit [Å] | 1.200 | 2.580 | 1.200 |
Rmerge | 0.057 | 0.025 | 0.520 |
Number of reflections | 90934 | 17115 | 15828 |
<I/σ(I)> | 9.16 | 28 | 1.8 |
Completeness [%] | 98.7 | 97.3 | 96.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.1600M Ca(OAc)2, 20.0000% Glycerol, 14.4000% PEG-8000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |