6F6T
Phenylalanine ammonia-lyase (PAL) from Petroselinum crispum complexed with S-APPA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.740, 161.100, 141.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.582 - 1.900 |
| R-factor | 0.194251206443 |
| Rwork | 0.192 |
| R-free | 0.23874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w27 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.923 |
| Data reduction software | XDS (VERSION Jun 1, 2017 BUILT=20170615) |
| Data scaling software | XDS (VERSION Jun 1, 2017 BUILT=20170615) |
| Phasing software | PHENIX (1.11.1_2575) |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.584 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.150 | 1.189 |
| Number of reflections | 106555 | |
| <I/σ(I)> | 4.48 | |
| Completeness [%] | 99.2 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.641 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 6000 14 W/V%, HEPES 0.15 M |
