4YXJ
Structure of Thermotoga maritima DisA in complex with ApCpp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00149 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 108.250, 108.250, 166.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.411 - 2.550 |
R-factor | 0.1926 |
Rwork | 0.190 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c1z |
RMSD bond length | 0.009 |
RMSD bond angle | 1.125 |
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] | 50.000 | 2.610 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.133 | 0.618 |
Number of reflections | 32830 | |
<I/σ(I)> | 15.5 | 2.1 |
Completeness [%] | 99.2 | 93.9 |
Redundancy | 5.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 30% (v/v) MPD, 200mM Ammonium acetate, 100 mM TRis-HCl |