5UAW

Structure of apo human PYCR-1 crystallized in space group P21212

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	CMOS
Collection date	2015-10-18
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	163.030, 88.140, 117.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.685 - 1.850
R-factor	0.1822
Rwork	0.180
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz
RMSD bond length	0.012
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.685	64.680	1.880
High resolution limit [Å]	1.850	10.130	1.850
Rmerge	0.075	0.025	0.902
Number of reflections	144477
<I/σ(I)>	18.7
Completeness [%]	100.0	99.6	99.9
Redundancy	9	11.8	6.5
CC(1/2)	0.999	1.000	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	300 mM Na2SO4, 16-18% (w/v) polyethylene glycol (PEG) 3350, and 0.1 M HEPES at pH 7.5