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 |