3OA4
CRYSTAL STRUCTURE OF hypothetical protein BH1468 from Bacillus halodurans C-125
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.07 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.264, 63.264, 90.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.540 - 1.940 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.23420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.408 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 5.260 | 1.940 |
Rmerge | 0.090 | 0.060 | 0.896 |
Number of reflections | 14255 | ||
<I/σ(I)> | 6.7 | ||
Completeness [%] | 99.9 | 98.7 | 100 |
Redundancy | 15.2 | 13.4 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.0 M ammonium sulfate, 0.1 M TRIS, 0.2 M lithium sulfate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |