3H3I
CRYSTAL STRUCTURE OF A PUTATIVE LIPID BINDING PROTEIN (BT_2261) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.20 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 | 2009-02-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97895,0.97833 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 67.383, 67.383, 186.164 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.604 - 2.200 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23200 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.495 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.604 | 29.610 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.083 | 0.046 | 0.590 |
Total number of observations | 1937 | 13806 | |
Number of reflections | 25038 | ||
<I/σ(I)> | 7.078 | 12.9 | 1.2 |
Completeness [%] | 100.0 | 96.6 | 100 |
Redundancy | 7.5 | 6.2 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.5000M (NH4)2SO4, 1.0000M Li2SO4, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |