4JQR
Crystal structure of a DUF4465 family protein (BACCAC_02373) from Bacteroides caccae ATCC 43185 at 2.05 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) | 0.918374,0.979415,0.979129 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 98.573, 98.573, 69.284 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.249 - 2.050 |
R-factor | 0.1657 |
Rwork | 0.164 |
R-free | 0.19080 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.249 | 29.249 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.013 | 0.013 | |
Total number of observations | 2036 | 13114 | |
Number of reflections | 24729 | ||
<I/σ(I)> | 10.7 | 30.8 | 1.8 |
Completeness [%] | 100.0 | 97.4 | 100 |
Redundancy | 7.2 | 6.6 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.33 | 277 | 1.3M ammonium sulfate, 0.1M sodium citrate - citric acid pH 4.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |