2CY1

Crystal structure of APE1850

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Detector technology	CCD
Collection date	2004-11-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	I 41
Unit cell lengths	99.770, 99.770, 45.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.209
Rwork	0.209
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cxc
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.290	2.290
Number of reflections	9945
<I/σ(I)>	35.3989	5.05844
Completeness [%]	96.5	86.1
Redundancy	3.8749	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION			PEG 8000, ammonium phosphate, LIQUID DIFFUSION