4O7S
SAICAR synthetase (Type-2) in complex with TMP/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 | 2012-11-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 43.890, 154.430, 78.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.250 - 2.240 |
R-factor | 0.1977 |
Rwork | 0.196 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u55 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.373 |
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] | 54.910 | 2.360 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.057 | 0.215 |
Number of reflections | 13215 | |
<I/σ(I)> | 29.3 | 10.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.8 | 8.7 |
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 |