2O5A
Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Wavelength(s) | 0.97903, 0.97937, 0.96791 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 119.936, 32.021, 59.546 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.2511 |
Rwork | 0.251 |
R-free | 0.27830 |
Structure solution method | MAD |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | RESOLVE (2.08) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
Rmerge | 0.087 | 0.051 | 0.369 |
Number of reflections | 12143 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.8 | 99.7 | 99.5 |
Redundancy | 7.2 | 7.6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |