4YVZ
Structure of Thermotoga maritima DisA in complex with 3'-dATP/Mn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.23953 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 107.490, 107.490, 168.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 168.790 - 2.495 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.21890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c1z |
RMSD bond length | 0.008 |
RMSD bond angle | 1.103 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 168.800 | 2.560 |
High resolution limit [Å] | 2.495 | 2.495 |
Rmerge | 0.108 | 1.052 |
Number of reflections | 65492 | |
<I/σ(I)> | 15.9 | 2.8 |
Completeness [%] | 99.6 | 94.5 |
Redundancy | 7.6 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 30% (v/v) MPD, 200 mM ammoniumacetate, 100 mM Tris-HCl |