7E5W
The structure of CcpA from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17A |
Synchrotron site | NSRRC |
Beamline | BL17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 179.287, 179.287, 173.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.260 - 2.550 |
R-factor | 0.2342 |
Rwork | 0.233 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rzr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.292 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.300 | 6.500 | 2.690 |
High resolution limit [Å] | 2.540 | 5.600 | 2.540 |
Rmerge | 0.094 | 0.570 | |
Rmeas | 0.099 | 0.592 | |
Rpim | 0.029 | 0.160 | |
Number of reflections | 46268 | 4517 | 4213 |
<I/σ(I)> | 22.67 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 11.3 | 12.2 | 13.6 |
CC(1/2) | 0.999 | 0.996 | 0.933 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | (NH4)2SO4, NaOAC |