2HUJ
Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 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 | 2006-07-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000001 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 100.110, 100.110, 66.916 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.424 - 1.740 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20700 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.211 |
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] | 29.424 | 29.450 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.076 | 0.042 | 0.852 |
Total number of observations | 2601 | 9794 | |
Number of reflections | 20444 | ||
<I/σ(I)> | 6.4 | 12.7 | 0.9 |
Completeness [%] | 98.7 | 91.6 | 96.8 |
Redundancy | 11.5 | 10.1 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 4.6 | 277 | 30.0% Glycerol, 5.6% PEG-4000, 0.1M Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 4.5 | 277 | 0.2M Ca(OAc)2, 30.0% PEG-400, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |