4UMD
Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with citrate
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 | 2012-10-10 |
| Detector | MARRESEARCH |
| Spacegroup name | I 4 |
| Unit cell lengths | 86.394, 86.394, 40.802 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.230 - 2.290 |
| R-factor | 0.18046 |
| Rwork | 0.176 |
| R-free | 0.26739 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n1u |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.322 |
| 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] | 2.290 | 2.290 |
| Rmerge | 0.090 | 0.360 |
| Number of reflections | 6587 | |
| <I/σ(I)> | 9.37 | 2.1 |
| Completeness [%] | 89.0 | 60 |
| Redundancy | 3.2 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 100 MM MG FORMATE,0.05 M BIS-TRIS PROPANE (PH 5.0), 16% W/V PEG 3350, 0.05 M CITRIC ACID |
