3LFJ
Crystal structure of manxB from Thermoanaerobacter tengcongensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9798 |
Spacegroup name | H 3 |
Unit cell lengths | 81.300, 81.300, 170.831 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.085 - 1.556 |
R-factor | 0.1897 |
Rwork | 0.189 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nrz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 60091 | |
Completeness [%] | 99.5 | 99.6 |
Redundancy | 10.7 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 20% iso-propanol, 0.1M Na Citrate pH 5.6, 15% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |