3Q6C
X-ray crystal structure of duf2500 (pf10694) from klebsiella pneumoniae, northeast structural genomics consortium target kpr96
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 | 2010-10-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.714, 93.613, 137.340 |
| Unit cell angles | 90.00, 97.31, 90.00 |
Refinement procedure
| Resolution | 49.450 - 2.600 |
| R-factor | 0.242 |
| Rwork | 0.225 |
| R-free | 0.28400 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.064 | 0.390 |
| Number of reflections | 74845 | |
| Completeness [%] | 94.3 | 88.4 |
| Redundancy | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1M HEPES (pH 7.5), 40% PEG8k, and 0.1M potassium nitrate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
