2W7I
Crystal structure of Y61AbsSHMT internal 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 | 61.160, 105.920, 56.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.190 - 2.720 |
R-factor | 0.22 |
Rwork | 0.217 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kkj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.888 |
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 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.140 | 0.400 |
Number of reflections | 10086 | |
<I/σ(I)> | 7.6 | 3.5 |
Completeness [%] | 97.2 | 99.1 |
Redundancy | 26.5 |
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 |