2YBO
The x-ray structure of the SAM-dependent uroporphyrinogen III methyltransferase NirE from Pseudomonas aeruginosa in complex with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-22 |
| Detector | RIGAKU CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.900, 115.100, 76.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.915 - 2.000 |
| R-factor | 0.238 |
| Rwork | 0.235 |
| R-free | 0.28680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s4d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.310 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.590 |
| Number of reflections | 19360 | |
| <I/σ(I)> | 20.19 | 2.58 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | PROTEIN WAS CRYSTALLIZED FROM 24% PEG 6000, 0.1 M TRIS PH 8.0 |
