3PCT

Structure of the class C acid phosphatase from Pasteurella multocida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	173
Detector technology	CCD
Collection date	2007-08-01
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	79.980, 106.150, 89.750
Unit cell angles	90.00, 93.11, 90.00

Refinement procedure

Resolution	26.616 - 1.850
R-factor	0.2145
Rwork	0.212
R-free	0.26720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3et4
RMSD bond length	0.006
RMSD bond angle	0.939
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.616	27.517	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.094	0.065	0.272
Total number of observations		7519	19889
Number of reflections	62294
<I/σ(I)>	10.4	8	2.4
Completeness [%]	97.8	99	86.7
Redundancy	3.5	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	293	20% (w/v) PEG 3350, 0.2 M ammonium citrate, and 10% (v/v) n-propanol, pH 7, temperature 293K