3TUA
Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) C94S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-04-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.970, 45.220, 115.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.000 - 1.090 |
R-factor | 0.141 |
Rwork | 0.141 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tu8 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.025 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.000 | 1.120 |
High resolution limit [Å] | 1.090 | 1.090 |
Rmerge | 0.034 | 0.354 |
Number of reflections | 77711 | |
<I/σ(I)> | 15 | 2.4 |
Completeness [%] | 95.5 | 75.6 |
Redundancy | 3.2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 26% PEG 3350, 0.2M Sodium bromide, 0.1M bis-tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |