1FQ5

X-ray structure of a cyclic statine inhibitor PD-129,541 bound to yeast proteinase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	87.300, 87.300, 110.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.900 - 2.400
R-factor	0.2
R-free	0.28000
RMSD bond length	0.016 *
RMSD bond angle	0.040 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE
Refinement software	RESTRAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.900
High resolution limit [Å]	2.400
Rmerge	0.071 *	0.641 *
Total number of observations	50021 *
Number of reflections	17302
Completeness [%]	89.6	81.2 *
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	298	PEG 6000, Sodium Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	10-25 (%(w/v))
2	1	reservoir	sodium acetate	0.01 (M)	pH5.5
3	1	drop	protein	10 (mg/ml)