3ZID
CetZ from Methanosaeta thermophila strain DSM 6194
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-06 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.547, 107.011, 76.966 |
Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
Resolution | 28.762 - 2.000 |
R-factor | 0.1845 |
Rwork | 0.182 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | LOWER RESOLUTION STRUCTURE OF CETZ |
RMSD bond length | 0.008 |
RMSD bond angle | 1.211 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.660 |
Number of reflections | 45108 | |
<I/σ(I)> | 11.4 | 1.5 |
Completeness [%] | 92.9 | 92.3 |
Redundancy | 1.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 30% (V/V) 1,2 PROPANEDIOL, 20% (V/V) PEG-400, 0.1 M HEPES PH 7.5 |