7TM4
Crystal structure of apo 3-phosphoshikimate 1-carboxyvinyltransferase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 32 |
Unit cell lengths | 43.709, 43.709, 171.067 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 57.020 - 1.700 |
R-factor | 0.2027 |
Rwork | 0.182 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g6t |
RMSD bond length | 0.008 |
RMSD bond angle | 1.128 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.530 | 85.530 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.057 | 0.026 | 0.683 |
Rmeas | 0.064 | 0.029 | 0.763 |
Rpim | 0.029 | 0.012 | 0.337 |
Total number of observations | 200342 | 1500 | 11036 |
Number of reflections | 40195 | 278 | 2138 |
<I/σ(I)> | 15.8 | 43.6 | 2.3 |
Completeness [%] | 99.8 | 99.9 | 100 |
Redundancy | 5 | 5.4 | 5.2 |
CC(1/2) | 0.998 | 0.999 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Morpheus B8: 9.375 (v/v) 2-methyl-2,4-pentanediol: 9.375 (v/v) PEG 1000: 9.375 (v/v) PEG 3350, 0.1M (Sodium HEPES: MOPS), 0.03 M Sodium fluoride: 0.03 M Sodium bromide: 0.03 M Sodium iodide), KlpnC.18288.a.B1.PW39049 at 20 mg/mL, Tray: plate 12156 well B8 drop 1, Puck: PSL0615, Cryo: direct |