7WP3

Crystal structure of the complex of proliferating cell nuclear antigen (PCNA) from Leishmania donovani with 1,5-Bis (4-amidinophenoxy) pentane (PNT) at 2.95 A resolution

Replaces:  5B7OReplaces:  5F7I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-28
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	135.024, 150.664, 170.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.485 - 2.954
Rwork	0.211
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5B7O
RMSD bond length	0.007
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.490	3.030
High resolution limit [Å]	2.950	2.950
Rmerge		0.490
Number of reflections	72691	4451
<I/σ(I)>	11.6	1
Completeness [%]	98.8	84.52
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	20% PEG 3350, 200mM sodium malonate