8BRB
Polyester Hydrolase Leipzig 7 (PHL7) bound to terephthalic acid (TPA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-26 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.912, 56.510, 101.744 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 21.570 - 1.700 |
| R-factor | 0.162 |
| Rwork | 0.160 |
| R-free | 0.20590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7nei |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.773 |
| Data reduction software | CrysalisPro (171.41.112a) |
| Data scaling software | Aimless (0.7.7) |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.570 | 1.761 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.075 | 0.479 |
| Rmeas | 0.081 | 0.537 |
| Rpim | 0.030 | 0.239 |
| Number of reflections | 66097 | 6614 |
| <I/σ(I)> | 18.33 | |
| Completeness [%] | 99.8 | 99.97 |
| Redundancy | 6.5 | 4.9 |
| CC(1/2) | 0.998 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 292 | 100 mM sodium citrate 20 % (w/v) PEG 4,000 5 % (v/v) 2-propanol |
