7LM0
Crystal structure of GenB3 in complex with PLP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.531, 156.753, 63.893 |
| Unit cell angles | 90.00, 115.20, 90.00 |
Refinement procedure
| Resolution | 31.080 - 2.090 |
| R-factor | 0.1631 |
| Rwork | 0.161 |
| R-free | 0.19590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7lld |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.978 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.530 | 46.530 | 2.150 |
| High resolution limit [Å] | 2.090 | 9.120 | 2.090 |
| Rmerge | 0.060 | 0.046 | 0.210 |
| Rmeas | 0.066 | 0.049 | 0.234 |
| Rpim | 0.026 | 0.019 | 0.098 |
| Total number of observations | 353510 | 5149 | 22739 |
| Number of reflections | 59080 | 759 | 4328 |
| <I/σ(I)> | 18.6 | 37 | 6 |
| Completeness [%] | 95.0 | 97.4 | 89.3 |
| Redundancy | 6 | 6.8 | 5.3 |
| CC(1/2) | 0.998 | 0.997 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM Sodium malonate, pH 4 and 12% (v/v) PEG 3350 |
