4ZPI
Crystal Structure of HygX from Streptomyces hygroscopicus with iron bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.739 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.400, 108.989, 221.584 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.674 - 2.504 |
R-factor | 0.173 |
Rwork | 0.170 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xca |
RMSD bond length | 0.013 |
RMSD bond angle | 1.110 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.094 | 0.041 | 0.584 |
Rmeas | 0.107 | 0.046 | 0.683 |
Rpim | 0.051 | 0.020 | 0.347 |
Total number of observations | 149043 | ||
Number of reflections | 40436 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 87.8 | 77.7 | 89.8 |
Redundancy | 3.7 | 4.3 | 3.3 |
CC(1/2) | 0.998 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.6 M succinic acid |