6J7C
Crystal structure of proline racemase-like protein from Thermococcus litoralis in complex with proline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 125.379, 125.379, 140.633 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.793 - 2.700 |
R-factor | 0.2505 |
Rwork | 0.245 |
R-free | 0.29580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w61 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.036 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.185 | 1.993 |
Rpim | 0.041 | 0.446 |
Number of reflections | 18535 | 889 |
<I/σ(I)> | 25.4 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.1 | 19.7 |
CC(1/2) | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M HEPES pH 7.0, 30% (v/v) Jeffamine ED-2001 pH 7.0 |