7UQ3
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.479, 64.690, 78.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.853 - 1.490 |
R-factor | 0.1347 |
Rwork | 0.134 |
R-free | 0.13490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gjz |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.230 | 78.230 | 1.520 |
High resolution limit [Å] | 1.490 | 8.160 | 1.490 |
Rmeas | 0.107 | 0.112 | 0.888 |
Rpim | 0.040 | 0.041 | 0.330 |
Number of reflections | 41815 | 316 | 2058 |
<I/σ(I)> | 11 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7 | 6.5 | 7 |
CC(1/2) | 0.996 | 0.991 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Sample: 22 mg/mL JMJD5, 1.5 mM MnCl2, 5 mM compound (IS-52); Reservoir: 0.1 M Bis-Tris pH 6.5, 15.0 % PEG3350, 0.002 M MnCl2; Cryo-protection: 25% (v/v) glycerol; Method: 300 nL sitting drops (sample:well, 2:1 ratio) |