6IMC
Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | I 4 |
Unit cell lengths | 147.898, 147.898, 178.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.164 - 2.510 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ima |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14rc3_3206) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.090 | 0.038 | 0.776 |
Rmeas | 0.098 | 0.041 | 0.849 |
Rpim | 0.039 | 0.016 | 0.339 |
Total number of observations | 388280 | ||
Number of reflections | 64730 | 3282 | 3229 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 99.8 | 99.4 | 99.9 |
Redundancy | 6 | 6.3 | 6 |
CC(1/2) | 0.999 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 10% PEG6000, 0.1 M Bicine-HCL |