7MQ2
C9A Streptococcus pneumoniae CstR in the reduced state, space group P21
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 | 2019-09-26 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.440, 45.570, 64.950 |
Unit cell angles | 90.00, 112.85, 90.00 |
Refinement procedure
Resolution | 36.260 - 2.290 |
R-factor | 0.2602 |
Rwork | 0.258 |
R-free | 0.29760 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.754 |
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] | 45.570 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmeas | 0.074 | 0.988 |
Rpim | 0.028 | 0.374 |
Number of reflections | 14665 | 1408 |
<I/σ(I)> | 16.2 | 1.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 7 |
CC(1/2) | 0.999 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, PEG 200 34-40% |