6E2V
MDDEF in complex with MVAPP, ADPBeF3 and magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.636, 98.599, 45.632 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.703 - 2.100 |
R-factor | 0.1749 |
Rwork | 0.174 |
R-free | 0.19250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v2l |
RMSD bond length | 0.012 |
RMSD bond angle | 1.120 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rpim | 0.029 | 0.289 |
Number of reflections | 22880 | 2229 |
<I/σ(I)> | 23.3 | 2.2 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.5 | |
CC(1/2) | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | Crystals were produced under the conditions of 1.6 M ammonium sulfate, 50 mM sodium acetate, pH 4.6; buffer exchange was performed under the conditions of 26 % PEG 3350, 5 mM MgCl2 and 50 mM sodium acetate, pH 4.6; Crystals were soaked with MVAPP, followed by ADPBeF3. Then condensation was conducted at 30 % PEG 3350, 15% PEG 400, 5 mM MgCl2, 50 mM sodium acetate, pH 4.6 |