6E2Y
MDDEF in complex with MVAPP, ADP, sulfate and cobalt. Anomalous data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-03-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.878, 98.016, 45.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.612 - 2.340 |
R-factor | 0.1889 |
Rwork | 0.187 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v2l |
RMSD bond length | 0.010 |
RMSD bond angle | 1.004 |
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 | 2.430 |
High resolution limit [Å] | 2.340 | 2.350 |
Rpim | 0.022 | 0.144 |
Number of reflections | 15794 | 1541 |
<I/σ(I)> | 40 | 4.5 |
Completeness [%] | 99.5 | 99.9 |
Redundancy | 12.7 | 12.3 |
CC(1/2) | 0.920 |
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 CoCl2 and 50 mM sodium acetate, pH 4.6; Crystals were soaked with MVAPP (200 micromole), followed by ATPgS (200 micromole). Then condensation was conducted at 30 % PEG 3350, 15% PEG 400, 5 mM CoCl2, 50 mM sodium acetate, pH 4.6 |