4L3U
Crystal structure of a DUF3571 family protein (ABAYE3784) from Acinetobacter baumannii AYE at 1.95 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 | 2012-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918401 |
Spacegroup name | I 41 |
Unit cell lengths | 61.739, 61.739, 94.886 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.443 - 1.950 |
R-factor | 0.1804 |
Rwork | 0.173 |
R-free | 0.20550 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.683 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHELX |
Refinement software | PHENIX (1.8.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.443 | 47.443 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.042 | 0.699 | |
Total number of observations | 1040 | 7085 | |
Number of reflections | 12983 | ||
<I/σ(I)> | 15.9 | 15.2 | 1.1 |
Completeness [%] | 100.0 | 98 | 100 |
Redundancy | 7.3 | 6.8 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 20% polyethylene glycol 6000, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 20% polyethylene glycol 6000, 3% Sorbitol, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |