4PPQ

Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-CR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 61
Unit cell lengths	106.470, 106.470, 70.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.850
R-factor	0.19987
Rwork	0.194
R-free	0.25278
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g19
RMSD bond length	0.006
RMSD bond angle	1.004
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.010	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.171	0.890
Number of reflections	10674
<I/σ(I)>	15.6	2.7
Redundancy	10.5	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	15% PEG 3350, 10% PEG 5000 MME, 0.2M AMMONIUM ACETATE, 0.1M SODIUM CITRATE, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K