6BVG
Crystal structure of bcMalT T280C-E54C crosslinked by divalent mercury
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.818, 114.367, 196.987 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.420 - 3.200 |
R-factor | 0.2536 |
Rwork | 0.251 |
R-free | 0.29180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5iws |
RMSD bond length | 0.003 |
RMSD bond angle | 0.609 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.420 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.115 | 0.750 |
Rmeas | 0.130 | 0.850 |
Rpim | 0.058 | 0.384 |
Number of reflections | 24635 | 2330 |
<I/σ(I)> | 12.16 | 1.8 |
Completeness [%] | 96.8 | 93.5 |
Redundancy | 4.5 | 4.4 |
CC(1/2) | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Glycine, pH 8.8-9.1, 33-38% PEG 400, 50 mM CoCl2 and 10-20 mM spermine tetrahydrochloride |