4B4V
Crystal structure of Acinetobacter baumannii N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD) complexed with NADP cofactor and inhibitor LY354899
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-06-30 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.178, 80.520, 68.523 |
Unit cell angles | 90.00, 106.97, 90.00 |
Refinement procedure
Resolution | 20.670 - 2.000 |
R-factor | 0.16997 |
Rwork | 0.168 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b0a |
RMSD bond length | 0.005 |
RMSD bond angle | 1.132 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.670 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.120 |
Number of reflections | 36783 | |
<I/σ(I)> | 12.9 | 6.3 |
Completeness [%] | 95.2 | 88.4 |
Redundancy | 2.4 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M BIS-TRIS PH 5.5, 20 % PEG 3350, 0.2 M MGCL2 AND 2 % DIOXANE |