4TOG
1.80A resolution structure of BfrB (C89S, K96C) crystal form 2 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 | 2013-10-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 155.134, 155.134, 155.177 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.272 - 1.800 |
R-factor | 0.1546 |
Rwork | 0.153 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3is7 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.996 |
Data scaling software | Aimless (0.2.8) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1701)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.270 | 48.270 | 1.830 |
High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
Rmerge | 0.106 | 0.036 | 1.600 |
Rpim | 0.024 | 0.009 | 0.372 |
Total number of observations | 2015697 | 12877 | 95322 |
Number of reflections | 101666 | ||
<I/σ(I)> | 20.8 | 68.4 | 2.3 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 19.8 | 17.3 | 19.2 |
CC(1/2) | 1.000 | 1.000 | 0.818 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 35% (v/v) MPD, 0.1M MES, 0.2M Lithium Sulfate |