6G9P
Structural basis for the inhibition of E. coli PBP2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-08 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 125.190, 182.064, 75.362 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.516 - 2.101 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g9s |
RMSD bond length | 0.007 |
RMSD bond angle | 0.898 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.520 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.150 | |
Number of reflections | 50209 | 4904 |
<I/σ(I)> | 7.92 | |
Completeness [%] | 98.3 | 88 |
Redundancy | 5.3 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M TrisBase / Bicine pH 8,5 ; 0.1 M Carboxylic acids mix (0.02 M Sodium formate ; 0.02 M Ammonium acetate ; 0.02 M Sodium citrate tribasic dihydrate ; 0.02 M Sodium potassium tartrate tetrahydrate ; 0.02 M Sodium oxamate) ; 24 % Glycerol ; 12 % PEG 4000 |