5WJA

Crystal structure of H107A peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.544, 100.613, 101.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.770 - 2.300
R-factor	0.2017
Rwork	0.198
R-free	0.27320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1phm
RMSD bond length	0.012
RMSD bond angle	1.780
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.770	29.770	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.048	0.028	0.339
Rmeas	0.069	0.040	0.479
Rpim	0.048	0.028	0.339
Total number of observations	52974	925	5016
Number of reflections	27694	538	2591
<I/σ(I)>	9.6	19.4	2.3
Completeness [%]	99.6	97.1	96.3
Redundancy	1.9	1.7	1.9
CC(1/2)	0.996	0.996	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	19-24% PEG 4000, Tris HCL, citrate