5NM0
Nb36 Ser85Cys with Hg, crystal form 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-03 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.008 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.610, 93.070, 142.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.255 - 1.500 |
R-factor | 0.1892 |
Rwork | 0.189 |
R-free | 0.21130 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.781 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.255 | 71.255 | 1.540 |
High resolution limit [Å] | 1.500 | 6.700 | 1.500 |
Rmerge | 0.045 | 0.024 | 1.075 |
Rmeas | 0.054 | 0.028 | 1.290 |
Number of reflections | 153776 | 1709 | 11332 |
<I/σ(I)> | 12.59 | 40.3 | 1.06 |
Completeness [%] | 99.5 | 97.1 | 99.5 |
Redundancy | 3.39 | 3.56 | 3.32 |
CC(1/2) | 0.999 | 0.999 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 292 | 0.1 M Citric acid, 25% w/v PEG 3350 |