4GW8

Human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and Leucettine L41

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-10-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	98.006, 98.006, 80.497
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.580 - 2.000
R-factor	0.1776
Rwork	0.176
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c3i
RMSD bond length	0.016
RMSD bond angle	1.515
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.2)
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.582	19.582	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.074	0.023	0.910
Total number of observations		5596	25682
Number of reflections	28862
<I/σ(I)>	17.7	25.9	0.9
Completeness [%]	97.0	96.2	94.9
Redundancy	6.3	6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.16M Na(OAc), 0.08M BTProp pH 8.5 , 16% PEG3350, 8% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K