4M8R
Crystal structure of a DUF4784 family protein (BACCAC_01631) from Bacteroides caccae ATCC 43185 at 2.50 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) | 0.91837,0.97941,0.97871 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 123.084, 123.084, 269.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.739 - 2.500 |
R-factor | 0.2025 |
Rwork | 0.202 |
R-free | 0.22180 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.355 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.739 | 33.739 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Total number of observations | 7673 | 42982 | |
Number of reflections | 42660 | ||
<I/σ(I)> | 13.2 | 36.1 | 1.6 |
Completeness [%] | 99.9 | 96.2 | 100 |
Redundancy | 14.1 | 13.5 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 2.00M ammonium sulfate, 0.00100M GSH (L-Glutathione reduced), GSSG (L-Glutathione oxidized), 0.1M phosphate-citrate pH 4.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |