4O7W
SAICAR synthetase (Type-2) in complex with ATP and TDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-11-27 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 44.150, 154.530, 78.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.040 - 2.200 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u55 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.424 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.040 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.045 | 0.170 |
Number of reflections | 13902 | |
<I/σ(I)> | 25 | 9 |
Completeness [%] | 99.1 | 98 |
Redundancy | 4.4 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch Underoil | 4.6 | 293 | 0.2M Ammonium Sulphate, 0.1M Sodium acetate trihydrate, 30% w/v PEG monomethyl ether 2000, pH 4.6, Microbatch Underoil, temperature 293K |