6NAU
1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 62 |
| Unit cell lengths | 184.745, 184.745, 48.761 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.330 - 1.550 |
| R-factor | 0.12721 |
| Rwork | 0.126 |
| R-free | 0.15552 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qrj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.376 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.100 | 0.711 |
| Rmeas | 0.106 | 0.757 |
| Rpim | 0.035 | 0.258 |
| Number of reflections | 138516 | 6923 |
| <I/σ(I)> | 20.5 | 3.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 | 8.5 |
| CC(1/2) | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | Protein: 9.8 mg/ml, 0.01M Tris-HCl pH 8.3, Screen: PACT (F6), 0.2M Sodium formate, 0.1M Bis-Tris propane pH 6.5, 20% (w/v) PEG 3350 |
