5UAX

Structure of apo human PYCR-1 crystallized in space group C2

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	C 1 2 1
Unit cell lengths	183.850, 120.690, 88.140
Unit cell angles	90.00, 109.25, 90.00

Refinement procedure

Resolution	60.345 - 1.850
R-factor	0.1738
Rwork	0.172
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2izz
RMSD bond length	0.014
RMSD bond angle	1.273
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]	60.345	60.340	1.880
High resolution limit [Å]	1.850	10.130	1.850
Rmerge	0.055	0.028	0.672
Number of reflections	153414
<I/σ(I)>	16.1
Completeness [%]	99.3	96.8	95.9
Redundancy	4.4	6.3	2.9
CC(1/2)	0.999	0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	3 M NaCl and 0.1 M HEPES at pH 7.5-8.0