4M90
crystal structure of oxidized hN33/Tusc3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-10-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.660, 62.477, 64.598 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.320 - 1.600 |
R-factor | 0.18552 |
Rwork | 0.185 |
R-free | 0.22003 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m8g |
RMSD bond length | 0.021 |
RMSD bond angle | 1.781 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.637 | |
Number of reflections | 21141 | |
<I/σ(I)> | 12.5 | 2.4 |
Completeness [%] | 99.5 | 99.6 |
Redundancy | 3.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 0.2 M KSCN, 10.5% PEG 8K, 10% PEG 1K in 100 mM cacodylic acid-NaOH, pH 6.5, VAPOR DIFFUSION, SITTING DROP |