7PUS

ERK5 in complex with Pyrrole Carboxamide scaffold

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	91.671, 91.671, 113.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.490 - 2.590
Rwork	0.219
R-free	0.28530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o7i
RMSD bond length	0.007
RMSD bond angle	1.672
Data reduction software	DIALS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.490	71.390
High resolution limit [Å]	2.590	2.590
Rmerge		0.114
Rmeas	0.398	0.123
Rpim	0.145	0.045
Number of reflections	15740	15740
<I/σ(I)>	5.7
Completeness [%]	100.0	100
Redundancy	13.9	11
CC(1/2)	0.986	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5 % (V/V) PEG 6000, 0.1 M MES (PH 6.0), 5 MM DTT