5D8X
1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 32 |
Unit cell lengths | 125.273, 125.273, 274.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.005 - 1.500 |
R-factor | 0.1533 |
Rwork | 0.152 |
R-free | 0.17320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3is7 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.911 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.940 | 48.940 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.065 | 0.032 | 0.768 |
Total number of observations | 3940396 | 26017 | 197175 |
Number of reflections | 770346 | ||
<I/σ(I)> | 13.5 | 44.9 | 2.3 |
Completeness [%] | 99.9 | 99.3 | 99.8 |
Redundancy | 5.1 | 5.6 | 5.2 |
CC(1/2) | 0.999 | 0.999 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 30% (v/v) 2-methyl-2,4-pentanediol, 100 mM Na acetate, 20 calcium chloride |