3GGM
Crystal Structure of BT9727_2919 from Bacillus thuringiensis subsp. Northeast Structural Genomics Target BuR228B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.679, 79.490, 55.788 |
Unit cell angles | 90.00, 109.63, 90.00 |
Refinement procedure
Resolution | 37.840 - 2.000 |
R-factor | 0.235 |
Rwork | 0.235 |
R-free | 0.26300 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.310 |
Number of reflections | 49862 | |
<I/σ(I)> | 18 | |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.5M NaFormate pH 7 0.01M TCEP HCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K |