4JES
1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form)
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 | 2012-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 63 |
Unit cell lengths | 75.071, 75.071, 129.255 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.535 - 1.600 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jer |
RMSD bond length | 0.009 |
RMSD bond angle | 1.046 |
Data reduction software | XDS |
Data scaling software | SCALA (0.1.27) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1148) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.013 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.076 | 0.013 |
Number of reflections | 54313 | |
<I/σ(I)> | 18.2 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.2 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 1.1 M sodium malonate, 0.1 HEPES, 0.5% (v/v) Jeffamine ED-2001, pH 7.0, vapor diffusion, temperature 293K |