8SZD
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.257, 79.156, 64.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.290 - 1.250 |
| R-factor | 0.1981 |
| Rwork | 0.197 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.169 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
| Rmerge | 0.062 | 0.052 | 0.447 |
| Rmeas | 0.070 | 0.058 | 0.566 |
| Rpim | 0.030 | 0.026 | 0.341 |
| Total number of observations | 208976 | ||
| Number of reflections | 40606 | 4277 | 2965 |
| <I/σ(I)> | 18 | ||
| Completeness [%] | 95.0 | 95.5 | 70.4 |
| Redundancy | 5.1 | 5.4 | 2 |
| CC(1/2) | 0.998 | 0.991 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Ammonium sulfate, citrate |
