2W7F
Crystal structure of Y51FbsSHMT L-Ser external aldimine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.010, 106.510, 57.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.450 - 1.670 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kl1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.331 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.060 | 0.450 |
Number of reflections | 43037 | |
<I/σ(I)> | 24.8 | 3.8 |
Completeness [%] | 96.5 | 83.7 |
Redundancy | 20.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 50% MPD, 0.1 M HEPES PH 7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM L-SER |