5FEW
HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.990, 78.970, 86.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.170 |
R-factor | 0.11083 |
Rwork | 0.110 |
R-free | 0.13233 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iix |
RMSD bond length | 0.027 |
RMSD bond angle | 2.489 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 1.240 |
High resolution limit [Å] | 1.170 | 1.170 |
Number of reflections | 118444 | |
<I/σ(I)> | 19.08 | |
Completeness [%] | 99.6 | |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG4000, lithium sulfate, CHAPS, TrisHCl |