6MKE
Crystal Structure of Peptidylprolyl Isomerase from Naegleria fowleri with bound FK506
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.050, 60.160, 73.340 |
Unit cell angles | 90.00, 97.12, 90.00 |
Refinement procedure
Resolution | 48.683 - 2.050 |
R-factor | 0.2162 |
Rwork | 0.213 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b4p |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.683 | 48.683 | 2.100 |
High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
Rmerge | 0.060 | 0.025 | 0.259 |
Rmeas | 0.062 | 0.026 | 0.270 |
Total number of observations | 524516 | ||
Number of reflections | 31313 | 393 | 2306 |
<I/σ(I)> | 37 | 95.06 | 8.41 |
Completeness [%] | 97.1 | 99.2 | 96.2 |
Redundancy | 16.751 | 16.537 | 12.254 |
CC(1/2) | 1.000 | 1.000 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | NafoA.18272.a.B1.PS38284 at 22.7 mg/ml was incubated with 5 mM FK-506, then was mixed 1:1 MCSG1(e12): 2.4 M sodium malonate, pH=7.0. Tray: 303683e12, puck: pvb8-5. |