5KJO

X-ray structure of PcCel45A expressed in Aspergillus nidullans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	45.624, 58.588, 63.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.800 - 1.470
R-factor	0.1438
Rwork	0.142
R-free	0.17240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wc2
RMSD bond length	0.005
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.800
High resolution limit [Å]	1.470	1.470
Rmerge		0.179
Number of reflections	29354
<I/σ(I)>	12.5	3
Completeness [%]	98.2	87
Redundancy	7.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.5 M Ammonium sulfate; 0.1 M Hepes pH 7.5; 30% v/v (+/-) 2-methyl-2,4-pentanediol