7TM5
Crystal structure of shikimate-3-phosphate bound 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 21 21 21 |
| Unit cell lengths | 44.256, 115.387, 183.599 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.860 - 1.410 |
| R-factor | 0.1346 |
| Rwork | 0.133 |
| R-free | 0.16040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g6t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 97.700 | 97.700 | 1.490 |
| High resolution limit [Å] | 1.410 | 4.460 | 1.410 |
| Rmerge | 0.066 | 0.031 | 0.671 |
| Rmeas | 0.072 | 0.034 | 0.734 |
| Rpim | 0.028 | 0.013 | 0.293 |
| Total number of observations | 1180504 | 38233 | 161354 |
| Number of reflections | 181399 | 6201 | 26186 |
| <I/σ(I)> | 14.3 | 38.9 | 2.4 |
| Completeness [%] | 100.0 | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.2 | 6.2 |
| CC(1/2) | 0.999 | 0.999 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Morpheus C5: 12% (v/v) PEG 500 MME: 8% (w/v) PEG 20000, 0.1M (Sodium HEPES: MOPS), 0.03 M Sodium nitrate, 0.03 M Sodium phosphate dibasic, 0.03 M Ammonium sulfate, KlpnC.18288.a.B1.PW39049 at 20 mg/mL, Tray: plate 12156 well C5 drop 1, Puck: PSL0602, Cryo: direct |
