4W8S
Crystal structure of truncated hemolysin A Q125S/Y134S from P. mirabilis at 1.5 Angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 56.338, 120.153, 34.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.095 - 1.511 |
R-factor | 0.1773 |
Rwork | 0.176 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fy3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.100 | 1.550 |
High resolution limit [Å] | 1.510 | 1.510 |
Number of reflections | 37174 | |
<I/σ(I)> | 28.7 | 2.5 |
Completeness [%] | 100.0 | 99.4 |
Redundancy | 14.3 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM citrate pH 5.5, 100 mM NaCl, PEG 4000 (8 - 16%) |