2WR8
Structure of Pyrococcus horikoshii SAM hydroxide adenosyltransferase in complex with SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-29 |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 65.561, 65.561, 142.685 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.780 - 1.770 |
R-factor | 0.17039 |
Rwork | 0.168 |
R-free | 0.21739 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wu8 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.623 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.040 | 0.500 |
Number of reflections | 22346 | |
<I/σ(I)> | 11.4 | 3.6 |
Completeness [%] | 99.7 | 100 |
Redundancy | 4.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 19.83% PEG 6000, 0.26M KCL, 0.1M MOPS PH 7 |