4JPQ
Crystal structure of a putative carbohydrate-binding protein (BACUNI_03838) from Bacteroides uniformis ATCC 8492 at 2.70 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 | PIXEL |
Collection date | 2013-01-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91837,0.97941,0.97858 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 96.860, 96.860, 137.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.230 - 2.700 |
R-factor | 0.2071 |
Rwork | 0.206 |
R-free | 0.23810 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.768 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.230 | 2.800 | |
High resolution limit [Å] | 2.700 | 5.770 | 2.700 |
Rmerge | 0.095 | 0.010 | 0.010 |
Number of reflections | 18547 | 3499 | 3460 |
<I/σ(I)> | 13.68 | 35.3 | 1.8 |
Completeness [%] | 99.2 | 98.4 | 97.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | 0.2000M lithium sulfate, 2.0000M ammonium sulfate, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |