4PX8
Structure of P. vulgaris HigB toxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 57.267, 31.297, 50.899 |
Unit cell angles | 90.00, 112.18, 90.00 |
Refinement procedure
Resolution | 15.710 - 1.250 |
R-factor | 0.1579 |
Rwork | 0.155 |
R-free | 0.18930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mct |
RMSD bond length | 0.013 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 15.710 | 15.710 | 1.300 |
High resolution limit [Å] | 1.250 | 13.000 | 1.250 |
Rmerge | 0.050 | 0.022 | 0.585 |
Number of reflections | 23296 | 11 | 2593 |
<I/σ(I)> | 19.3 | 42.41 | 3.25 |
Completeness [%] | 99.7 | 39.3 | 100 |
Redundancy | 7.2 | 5.45 | 6.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293.15 | 40% (w/v) polyethylene glycol monomethyl ether 2,000 and 0.15 M KBr, pH 7.5, VAPOR DIFFUSION, temperature 293.15K |