3NO2
Crystal structure of a protein of unknown function (BACCAC_01654) from Bacteroides caccae at 1.35 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 | 2010-04-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97941,0.97894 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.173, 63.798, 105.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.993 - 1.350 |
R-factor | 0.1475 |
Rwork | 0.147 |
R-free | 0.15950 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.617 |
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] | 27.993 | 1.400 | |
High resolution limit [Å] | 1.350 | 2.910 | 1.350 |
Rmerge | 0.058 | 0.025 | 0.505 |
Rmeas | 0.075 | 0.032 | 0.657 |
Total number of observations | 297194 | ||
Number of reflections | 68533 | 13079 | 13087 |
<I/σ(I)> | 10.61 | 31.6 | 1.9 |
Completeness [%] | 97.7 | 98.7 | 95.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 40.000000000% PEG-600, 0.1M Citrate pH 5.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP |