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