7ARZ
Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.969 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 68.360, 68.360, 203.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.910 - 2.150 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n7u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.608 |
Data reduction software | HKL-2000 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.910 | 56.910 | 2.300 |
High resolution limit [Å] | 2.150 | 7.240 | 2.150 |
Rmerge | 0.056 | 0.020 | 0.754 |
Rmeas | 0.070 | 0.026 | 0.931 |
Total number of observations | 82602 | ||
Number of reflections | 30481 | 894 | 5425 |
<I/σ(I)> | 11.08 | 35.13 | 1.24 |
Completeness [%] | 98.5 | 95.9 | 97.9 |
Redundancy | 2.71 | 2.345 | 2.671 |
CC(1/2) | 0.998 | 0.999 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | Tris 0.1M pH 8.0 + Ammonium sulfate 2.0M |