4IIR

Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	52.500, 52.500, 78.790
Unit cell angles	105.29, 103.05, 93.09

Refinement procedure

Resolution	20.160 - 2.000
R-factor	0.2439
Rwork	0.243
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	BUSTER-TNT (BUSTER 2.9.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.055	0.034	0.384
Number of reflections	51485
<I/σ(I)>	10.1
Completeness [%]	97.5	95.5	97
Redundancy	2.2	2.1	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.2M ammonium sulfate, 20-30% PEG 3350 and 0.1M HEPES pH7.0, 5 mM AMPPNP final concentration added to cryo-protectant solution for soaking of apo crystals, VAPOR DIFFUSION, HANGING DROP, temperature 291K