6Q9F
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-10-05 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.808, 91.541, 122.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.161 - 1.630 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.19990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jqy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.199 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.161 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.061 | 1.000 |
Rmeas | 0.064 | |
Rpim | 0.020 | 0.453 |
Number of reflections | 70950 | 6975 |
<I/σ(I)> | 35.59 | 1.875 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 13 |
CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 0.2 M sodium chloride 0.1 M Tris-HCl 8.0 20 % w/v PEG 6000 |