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 |