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 |
