4XCA
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel and 2-oxoglutarate 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 | 2012-08-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.485 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.399, 112.044, 177.803 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.713 - 2.295 |
R-factor | 0.1808 |
Rwork | 0.175 |
R-free | 0.23630 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.091 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (AutoSol) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.071 | 0.037 | 0.234 |
Rmeas | 0.081 | 0.043 | 0.262 |
Rpim | 0.037 | 0.020 | 0.116 |
Total number of observations | 204918 | ||
Number of reflections | 46741 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 96.1 | 93.9 | 97.8 |
Redundancy | 4.4 | 4.2 | 4.4 |
CC(1/2) | 0.997 | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, 50 mM CsCl, 30% Jeffamine M-600. Sample was pre-incubated with 3 mM 2-oxoglutarate for 30 minutes. |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, 50 mM CsCl, 30% Jeffamine M-600. Sample was pre-incubated with 3 mM 2-oxoglutarate for 30 minutes. |