3G7P
Crystal structure of a nifx-associated protein of unknown function (afe_1514) from acidithiobacillus ferrooxidans atcc at 2.00 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 | 2009-01-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97925 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 49.293, 49.293, 254.025 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.228 - 2.000 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.24900 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | XDS |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.228 | 28.228 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.131 | 0.044 | 0.668 |
Total number of observations | 645 | 4343 | |
Number of reflections | 13459 | ||
<I/σ(I)> | 4.831 | 10.8 | 1 |
Completeness [%] | 100.0 | 97 | 100 |
Redundancy | 4.4 | 3 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | NANODROP, 0.20M Li2SO4, 30.0% PEG 4000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |