6VJ6
2.55 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.425, 70.358, 79.357 |
Unit cell angles | 90.00, 91.75, 90.00 |
Refinement procedure
Resolution | 29.730 - 2.553 |
Rwork | 0.217 |
R-free | 0.24740 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.452 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.084 | 0.787 |
Rmeas | 0.095 | 0.883 |
Rpim | 0.044 | 0.394 |
Number of reflections | 27237 | 1368 |
<I/σ(I)> | 18.1 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5 | 5.1 |
CC(1/2) | 0.831 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 8.3 mg/ml, 0.01M Tris pH 8.3; Reservior (Screen JCSG+, G1): 0.1M HEPES pH 7.0, 30% v/v Jeffamine ED-2001 pH 7.0 |