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 |
