4H8P
NEAT5 domain of IsdX2, a B. anthracis hemophore in complex with heme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-05-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | I 2 3 |
Unit cell lengths | 109.020, 109.020, 109.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.475 - 2.050 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sik |
RMSD bond length | 0.007 |
RMSD bond angle | 1.244 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 54.510 |
High resolution limit [Å] | 2.050 |
Rmerge | 0.148 |
Number of reflections | 13751 |
Completeness [%] | 99.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 294 | 10% PEG 3000, 0.2 M Zn acetate and 0.1 M sodium acetate pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |