4IPB
Crystal structure of a DUF2874 family protein (BACOVA_02504) from Bacteroides ovatus ATCC 8483 at 1.62 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401, 0.979415, 0.979261 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.265, 54.155, 60.120 |
Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
Resolution | 29.044 - 1.620 |
R-factor | 0.1674 |
Rwork | 0.166 |
R-free | 0.20270 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.649 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.044 | 29.044 | 1.660 |
High resolution limit [Å] | 1.620 | 7.240 | 1.620 |
Rmerge | 0.075 | 0.768 | |
Total number of observations | 1421 | 7131 | |
Number of reflections | 33727 | ||
<I/σ(I)> | 7.9 | 4.5 | 0.9 |
Completeness [%] | 99.7 | 98.6 | 96.7 |
Redundancy | 3.6 | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 12.0% polyethylene glycol 20000, 0.1M MES pH 6.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |