6Q9I

Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with 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	50.125, 91.359, 123.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.447 - 1.852
R-factor	0.2031
Rwork	0.202
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9f
RMSD bond length	0.007
RMSD bond angle	0.973
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]	46.447	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.077	1.000
Rmeas	0.081
Rpim	0.027	0.457
Number of reflections	49046	4787
<I/σ(I)>	27.09	1.6
Completeness [%]	100.0	100
Redundancy	9.8	9.5
CC(1/2)	0.998	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M sodium formate, 20 % w/v PEG 3350