7YBC

Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with (S)-4-hydroxy-4-methyl-2-oxoglutarate and factor X-derived peptide (39mer-4Ser)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99990
Spacegroup name	P 21 21 21
Unit cell lengths	50.372, 87.049, 124.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 1.840
R-factor	0.1786
Rwork	0.178
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jtc
RMSD bond length	0.005
RMSD bond angle	0.786
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.320	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.279	4.176
Rmeas	0.290	4.345
Rpim	0.081	1.195
Number of reflections	48417	2389
<I/σ(I)>	8.5	0.9
Completeness [%]	100.0	100
Redundancy	12.9	13.2
CC(1/2)	0.994	0.399

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M Sodium acetate trihydrate, 20 % w/v Polyethylene glycol 3,350, 0.1 M Bis Tris propane