4N70

Pim1 Complexed with a pyridylcarboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	160
Detector technology	CCD
Collection date	2009-05-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9765
Spacegroup name	P 65
Unit cell lengths	97.950, 97.950, 81.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.410 - 2.100
R-factor	0.1694
Rwork	0.167
R-free	0.20830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.370
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.410	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.471
Number of reflections	25905
<I/σ(I)>	0.089	4.2
Completeness [%]	99.9	100
Redundancy	5.9	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	RESERVOIR SOLUTION - 0.7M (NH4)2HPO4, 0.3M NACL, 0.1M NACITRATE, PH 5.5, PROTEIN SOLUTION - 7.5MG/ML IN 20MM HEPES, 100MM NACL, 5MM DTT, PH 8, COMPOUND WAS SOAKED IN, TEMPERATURE 298.0K, VAPOR DIFFUSION, HANGING DROP