4P7X

L-pipecolic acid-bound L-proline cis-4-hydroxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	90
Detector technology	CCD
Collection date	2013-05-22
Detector	RAYONIX MX325HE
Wavelength(s)	0.900
Spacegroup name	C 2 2 21
Unit cell lengths	112.680, 123.395, 56.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 1.300
R-factor	0.1368
Rwork	0.135
R-free	0.16190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.415
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP (11.1.03)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.870	19.873	1.370
High resolution limit [Å]	1.300	4.110	1.300
Rmerge	0.055	0.035	0.481
Rmeas	0.059
Rpim	0.020	0.014	0.211
Total number of observations	655504	25475	84038
Number of reflections	97557
<I/σ(I)>	6.7	45.4	3.5
Completeness [%]	100.0	99.1	100
Redundancy	6.7	7.8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	CAPS, Ammonium sulfate, Lithium sulfate