5JPC
Joint X-ray/neutron structure of MTAN complex with Formycin A
Experimental procedure
Experimental method | LAUE |
Source type | NUCLEAR REACTOR |
Source details | ORNL High Flux Isotope Reactor BEAMLINE CG4D |
Synchrotron site | ORNL High Flux Isotope Reactor |
Beamline | CG4D |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 2015-05-16 |
Detector | BIODIFF |
Wavelength(s) | 2.8-4.5 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 83.189, 83.189, 67.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.020 - 2.500 |
Rwork | 0.282 |
R-free | 0.26600 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | nCNS (1.0.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.450 | |
High resolution limit [Å] | 2.500 | 2.200 |
Rmerge | 0.667 | |
Number of reflections | 7143 | |
<I/σ(I)> | 2.6 | 2.3 |
Completeness [%] | 74.5 | 100 |
Redundancy | 3.5 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 276.15 | 100 mM HEPES, pH 7.5, 15-20% w/v PEG550, 95 mM magnesium chloride hexahydrate |
1 | EVAPORATION | 7.5 | 276.15 | 100 mM HEPES, pH 7.5, 15-20% w/v PEG550, 95 mM magnesium chloride hexahydrate |