5KKP

Crystal Structure of Human Pseudouridylate Synthase 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-03
Detector	RAYONIX MX300HE
Wavelength(s)	0.97901
Spacegroup name	P 21 21 21
Unit cell lengths	56.356, 73.400, 138.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.360 - 2.260
R-factor	0.21
Rwork	0.209
R-free	0.26300
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	RESOLVE
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.300
High resolution limit [Å]	2.260	6.130	2.260
Rmerge	0.101	0.074	0.823
Rmeas	0.105
Rpim	0.028
Total number of observations	364318
Number of reflections	27643
<I/σ(I)>	6.9
Completeness [%]	99.6	99.9	95.3
Redundancy	13.2	12.1	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	23% PEG 3350, 0.2 M Sodium formate, pH7.0