4M7T
Crystal structure of BtrN in complex with AdoMet and 2-DOIA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.664, 55.175, 116.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.115 - 1.560 |
R-factor | 0.1651 |
Rwork | 0.164 |
R-free | 0.18250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.227 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.620 |
High resolution limit [Å] | 1.560 | 3.360 | 1.560 |
Rmerge | 0.127 | 0.078 | 0.474 |
Number of reflections | 40313 | ||
<I/σ(I)> | 5.1 | ||
Completeness [%] | 96.0 | 98.1 | 76 |
Redundancy | 4.4 | 4.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 30 mM citric acid / 70 mM Bis-TRIS propane pH 7.6 and 25-31% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |