4XEU
Crystal structure of a transketolase from Pseudomonas aeruginosa
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 | 2014-10-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.150, 76.150, 193.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.19870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r8o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.431 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.069 | 0.025 | 0.560 |
| Rmeas | 0.076 | 0.027 | 0.610 |
| Total number of observations | 296240 | ||
| Number of reflections | 48109 | 593 | 3537 |
| <I/σ(I)> | 18.55 | 50.85 | 3.47 |
| Completeness [%] | 99.3 | 90.5 | 100 |
| Redundancy | 6.2 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | PsaeA.01294.a.B1 at 20 mg/mL against MCSG 1 screen condition E9, 0.2 M CaCl2, 25% PEG 3350 supplemented with 20% EG as cryo-protected |
