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 |
