6I9L
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.91741 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.591, 64.809, 77.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.836 - 1.530 |
R-factor | 0.1473 |
Rwork | 0.146 |
R-free | 0.16380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gjz |
RMSD bond length | 0.008 |
RMSD bond angle | 0.949 |
Data reduction software | HKL-2000 (706E) |
Data scaling software | HKL-2000 (706E) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.836 | 1.580 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.119 | 0.550 |
Rmeas | 0.130 | 0.605 |
Rpim | 0.052 | 0.247 |
Number of reflections | 38444 | 3781 |
<I/σ(I)> | 17.64 | 6.56 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.2 | 5.9 |
CC(1/2) | 0.990 | 0.898 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M BIS-TRIS PH 6.5, 15.0 % PEG3350, 0.002 M MNCL2, 300 NL SITTING DROPS (SAMPLE:WELL, 2:1 RATIO) |