4UMF
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion, Phosphate ion and KDO molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-02-27 |
| Detector | MAR |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.914, 46.053, 87.226 |
| Unit cell angles | 90.00, 90.25, 90.00 |
Refinement procedure
| Resolution | 31.690 - 2.280 |
| R-factor | 0.21771 |
| Rwork | 0.214 |
| R-free | 0.28093 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n1u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.627 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.050 | 0.430 |
| Number of reflections | 33990 | |
| <I/σ(I)> | 17.1 | 2.01 |
| Completeness [%] | 90.7 | 65 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 100 MM MG FORMATE, 100 MM BIS-TRIS PROPANE (PH 5.0), 28% W/V PEG 3350, 200MM SODIUM PHOSPHATE, KDO |
