4UM5
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion and Phosphate ion
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 | 2014-02-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.795, 45.770, 87.801 |
| Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
| Resolution | 31.680 - 2.340 |
| R-factor | 0.19066 |
| Rwork | 0.188 |
| R-free | 0.24578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n1u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.517 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.060 | 0.380 |
| Number of reflections | 26909 | |
| <I/σ(I)> | 23 | 2.12 |
| Completeness [%] | 91.6 | 69.1 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 100 MM MG FORMATE, 100 MM BIS-TRIS PROPANE (PH 5.0), 28% W/V PEG 3350, 200MM SODIUM PHOSPHATE |
