7MQ1
C9A Streptococcus pneumoniae CstR in the reduced state, space group C2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2019-04-28 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.302, 54.869, 57.514 |
Unit cell angles | 90.00, 115.73, 90.00 |
Refinement procedure
Resolution | 43.040 - 2.020 |
R-factor | 0.2075 |
Rwork | 0.205 |
R-free | 0.25760 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 0.978 |
Data reduction software | Aimless |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.040 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmeas | 0.055 | 0.910 |
Rpim | 0.029 | 0.497 |
Number of reflections | 17243 | 1273 |
<I/σ(I)> | 10.8 | 1.1 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.6 | 3.3 |
CC(1/2) | 0.999 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | MES 0.1 M pH 5.5, (NH4)2SO4 0.25 M, PEG 4000 15-18% |