4DNQ
Crystal Structure of DAD2 S96A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.978916 |
Spacegroup name | P 31 |
Unit cell lengths | 176.660, 176.660, 107.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.360 - 2.800 |
R-factor | 0.2437 |
Rwork | 0.242 |
R-free | 0.27150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.463 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.360 | 62.360 | 2.950 |
High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
Rmerge | 0.182 | 0.145 | 0.530 |
Total number of observations | 33650 | 147278 | |
Number of reflections | 92560 | ||
<I/σ(I)> | 10.2 | 15.9 | 4.5 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 11.1 | 11.5 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.6 | 291 | (NH4)2HPO4 0.2M, PEG 3350 18%, pH 6.6, vapor diffusion, temperature 291K |