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 |