2HUH
Crystal structure of a duf2027 family protein (bt_2179) from bacteroides thetaiotaomicron at 1.54 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 | 2006-07-02 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97922,0.97905 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 43.043, 43.043, 167.295 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.002 - 1.540 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.19200 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.493 |
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] | 30.002 | 30.010 | 1.580 |
High resolution limit [Å] | 1.500 | 6.890 | 1.540 |
Rmerge | 0.076 | 0.045 | 0.767 |
Total number of observations | 3719 | 6679 | |
Number of reflections | 23849 | ||
<I/σ(I)> | 6.1 | 12.4 | 1 |
Completeness [%] | 97.6 | 98.3 | 92.7 |
Redundancy | 8.4 | 10.5 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 7.5 | 293 | 12.0% PEG-3000, 0.2M NaCl, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K |