3DA8

Crystal structure of PurN from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	110
Detector technology	CCD
Collection date	2007-07-29
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97900
Spacegroup name	P 21 21 21
Unit cell lengths	73.273, 73.366, 77.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.690 - 1.300
R-factor	0.16487
Rwork	0.164
R-free	0.18602
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1meo
RMSD bond length	0.009
RMSD bond angle	1.335
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.4.0078)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.225	1.320
High resolution limit [Å]	1.250	1.250
Rmerge	0.066	0.822
Number of reflections	115083
<I/σ(I)>	24.2	3.6
Completeness [%]	100.0	100
Redundancy	14.4	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 3350, 0.1 M Mg formate, 0.1 M NaI, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K