4Q2H
Crystal structure of probable proline racemase from agrobacterium radiobacter K84, TARGET EFI-506561, with bound carbonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-26 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.430, 129.470, 178.703 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.14744 |
| Rwork | 0.147 |
| R-free | 0.17570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lb0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.349 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.085 | 0.910 |
| Number of reflections | 72154 | |
| <I/σ(I)> | 20.9 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 15 MM BIS-TRIS, 500 MM NACL, 10% GLYCEROL, 5 MM DTT, TEV PROTEASE (1:100 RATIO); RESERVOIR: 0.4 M POTASSIUM PHOSPHATE MONOBASIC, 16% PEG8000, 20% GLYCEROL, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
