3OJC
Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-07-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.520, 95.410, 142.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.770 - 1.750 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.20150 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.039 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.083 | 0.045 | 0.598 |
| Number of reflections | 92056 | ||
| <I/σ(I)> | 9.3 | 32.4 | 3 |
| Completeness [%] | 99.9 | 99.1 | 99.9 |
| Redundancy | 7.3 | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 200mM calcium acetate, 20% PEG 3350, 2% 1,6-hexanediol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
