5IAX

Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - Co-BaP4H-PPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-14
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	50.791, 75.553, 105.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.479 - 2.100
R-factor	0.1985
Rwork	0.197
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iat
RMSD bond length	0.011
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.479	61.479	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.030	0.496
Rmeas	0.088
Rpim	0.041
Total number of observations	111271
Number of reflections	24447
<I/σ(I)>	13.1	15.3	1.4
Completeness [%]	99.8	99.4	100
Redundancy	4.6	4.2	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M KBr, 30 % PEG 2000 MME