8H85

Trans-3/4-proline-hydroxylase H11 with 3-hydroxyl-proline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 41 2 2
Unit cell lengths	75.390, 75.390, 143.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.820 - 2.380
R-factor	0.1654
Rwork	0.164
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6LNS
RMSD bond length	0.010
RMSD bond angle	1.654
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.420
High resolution limit [Å]	2.380	6.460	2.380
Rmerge	0.067	0.032	0.502
Rmeas	0.070	0.034	0.521
Rpim	0.020	0.011	0.141
Total number of observations	217057
Number of reflections	17231	987	856
<I/σ(I)>	8.2
Completeness [%]	99.9	98.8	100
Redundancy	12.6	10.6	13.2
CC(1/2)		0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289.15	0.7M Sodium citrate tribasic dihydrate and 0.1M Bis-Tris propane (pH 7.0)