5FEP
HydE from T. maritima in complex with (2R,4R)-MeTDA
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 | 2013-11-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.160, 80.020, 86.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.020 - 1.450 |
R-factor | 0.16289 |
Rwork | 0.162 |
R-free | 0.18797 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iix |
RMSD bond length | 0.023 |
RMSD bond angle | 2.396 |
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] | 44.050 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 63460 | |
<I/σ(I)> | 14.86 | |
Completeness [%] | 99.5 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000, Lithium sulfate, CHAPS, TrisHCl |