6QA5

Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in the apo form

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	48.776, 70.520, 173.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.718 - 2.655
R-factor	0.1985
Rwork	0.197
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9f
RMSD bond length	0.005
RMSD bond angle	0.775
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]	44.718	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.241	1.319
Rmeas	0.251
Rpim	0.084	0.478
Number of reflections	18051	1770
<I/σ(I)>	9	2
Completeness [%]	100.0	100
Redundancy	12.9	13.3
CC(1/2)	0.997	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	0.1 M PCTP (Propionic acid, Cacodylate, Bis-tris propane) buffer pH 9.0 25 % w/v PEG 1500